data_2dnf_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 2dnf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 9.3 tp10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 53.9 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.23 128.45 47.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 11.0 m -100.87 102.39 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.6 pt -112.53 151.73 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 63.1 m-85 -99.79 140.67 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.1 mm? -113.41 155.15 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.435 HG21 ' CD1' ' A' ' 96' ' ' TYR . 71.2 mt -147.01 134.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 125.31 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -65.31 129.14 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 84.38 7.94 84.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -110.68 116.65 31.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.48 29.0 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 mp -121.65 -36.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -97.06 142.92 25.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.22 179.95 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -136.63 108.98 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.556 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 50.0 ttp85 -69.42 108.48 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.56 144.84 48.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.0 tp -107.31 139.47 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mt -120.73 119.76 29.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 150.36 68.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -58.28 -32.81 68.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.6 ptmm? -62.71 -29.09 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 5.3 m -97.4 -33.36 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.93 -44.17 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.7 p30 -58.63 -40.99 84.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -93.13 95.14 9.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 47.0 t-105 -51.81 -42.35 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 43' ' ' ASP . 4.8 t0 -55.46 -40.35 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -64.89 -32.69 74.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.52 -52.36 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.43 -35.98 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 31.3 tp60 -62.52 -27.14 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.6 mtp -93.99 -37.75 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.99 -37.29 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.6 m -62.88 -40.69 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -52.03 -30.5 25.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -96.54 -40.06 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mm -122.5 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -89.36 101.13 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.35 143.08 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -57.99 -28.15 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.9 p -74.35 -19.0 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.48 -111.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.49 178.57 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 61' ' ' HIS . 18.2 t -90.42 142.88 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.5 m-70 -123.74 -21.56 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -155.39 157.94 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.4 155.47 26.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.505 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -144.01 130.94 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.564 HG23 ' CD2' ' A' ' 83' ' ' TYR . 58.7 p -77.09 172.31 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 66' ' ' LEU . 6.9 mp -69.28 -16.14 63.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.13 -17.2 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.15 19.59 11.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -81.78 160.35 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tp -118.62 121.31 39.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.503 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 22.0 t -103.76 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.596 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 34.9 mt-10 -82.68 -19.41 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 84.4 p -143.28 179.54 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -81.99 26.5 3.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.84 -27.03 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.708 0.29 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 24.3 mt-10 -89.88 -8.48 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.405 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 71.3 mt -64.76 172.51 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -152.04 173.6 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -99.04 105.82 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.13 43.54 7.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -119.46 165.53 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.1 m-85 -105.67 141.86 36.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CD2' HG23 ' A' ' 65' ' ' THR . 70.3 m-85 -142.98 166.1 25.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 85' ' ' ALA . 32.8 t -121.84 139.95 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -90.78 109.12 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 64' ' ' TYR . 38.6 t -107.28 123.57 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.63 -136.75 3.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 19.4 mtp85 -83.79 40.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -134.68 179.78 6.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.6 mppt? -83.44 155.09 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 83.2 t80 -73.78 112.63 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 43.2 mttp -86.55 74.69 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 13.1 tptp -39.56 96.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.4 mt -121.6 154.82 60.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 20' ' ' ILE . 79.7 m-85 -102.72 -31.62 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.83 -18.49 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -85.49 -37.27 19.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.15 -27.15 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.75 171.39 14.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.734 2.289 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -136.42 132.98 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 8.7 m -98.37 112.84 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 78' ' ' GLU . 22.0 pt -119.8 159.74 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.67 138.57 42.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -120.54 151.21 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 21' ' ' ALA . 52.3 mt -141.34 143.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -73.26 123.51 23.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.99 127.39 31.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.87 7.54 66.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -111.71 120.26 41.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 94' ' ' LEU . 4.5 mm? -125.04 16.17 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -111.79 -43.5 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.34 143.03 27.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -171.0 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.32 -177.53 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.46 122.89 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -76.21 113.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.55 141.65 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 4.6 tp -104.36 139.65 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -121.33 118.69 29.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.08 49.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -60.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -40.64 -28.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -93.02 -41.32 10.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD2' HD12 ' A' ' 77' ' ' LEU . 11.3 mt -45.65 -36.85 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.1 p30 -65.53 -39.35 91.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 36.4 mt-30 -90.67 120.2 31.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -70.88 -43.55 68.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.22 -45.82 79.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -56.82 -33.95 67.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.91 -59.09 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -22.13 2.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -76.76 -33.37 58.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.7 mtp -87.85 -31.98 19.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -65.67 -36.12 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -64.97 -48.0 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -49.31 -27.66 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -97.97 -37.49 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mm -118.59 95.09 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -86.08 107.0 17.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 55' ' ' LEU . 6.8 mp -82.98 166.23 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -52.52 -31.85 37.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.4 t -74.1 -30.54 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.33 -12.45 33.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.66 149.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -88.22 154.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 5.7 m-70 -129.43 -32.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -138.87 155.74 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 mm? -115.67 161.28 18.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 55.8 m-85 -153.11 142.14 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 83' ' ' TYR . 68.6 p -83.05 -179.46 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -86.31 -13.27 47.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -89.13 -17.07 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.09 31.36 3.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -110.93 162.43 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.58 144.06 49.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 73' ' ' SER . 40.9 t -107.64 136.18 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -115.63 4.22 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 t -172.36 -178.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.96 17.83 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.03 27.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 22.5 mt-10 -88.98 -28.94 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 39' ' ' LEU . 92.7 mt -46.06 127.58 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 9.1 tt0 -110.32 171.22 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.69 102.07 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.57 6.35 57.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.405 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 2.6 tp-100 -94.02 171.8 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD1' HD13 ' A' ' 100' ' ' LEU . 32.0 m-85 -111.96 133.98 53.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 65' ' ' THR . 85.2 m-85 -132.84 127.08 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 96' ' ' TYR . 39.1 t -83.1 134.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.3 126.47 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.81 128.94 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -154.44 23.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.542 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 17.8 mmm180 -54.88 -15.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.53 171.4 14.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 167.04 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 7.9 t80 -87.55 119.32 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -82.33 92.05 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -48.38 94.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.444 ' CD1' HD22 ' A' ' 25' ' ' LEU . 17.1 mt -130.28 150.74 77.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 104.23 1.28 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.8 m-85 -99.27 -36.28 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -16.12 15.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.26 -36.76 24.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.01 -22.97 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 168.57 21.24 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -132.31 109.13 9.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.47 HG21 ' NE ' ' A' ' 31' ' ' ARG . 9.2 m -75.39 123.52 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' CD2' ' A' ' 19' ' ' LEU . 22.9 pt -129.71 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 96.3 m-85 -103.83 131.08 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -110.95 148.54 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 21' ' ' ALA . 64.6 mt -139.23 135.72 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' HG23 ' A' ' 20' ' ' ILE . . . -67.84 126.71 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -60.7 136.41 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.82 16.06 80.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -115.97 119.74 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 94' ' ' LEU . 3.3 mm? -125.01 23.81 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.436 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -115.85 -48.98 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -87.64 145.66 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -168.8 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.83 -174.94 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -137.06 110.1 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' NE ' HG21 ' A' ' 16' ' ' THR . 7.5 ttt85 -68.16 96.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.91 121.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tp -87.76 137.32 32.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.5 mt -122.55 124.45 26.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.737 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.02 58.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -43.95 -41.81 5.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -76.96 -37.74 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.4 -21.08 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -77.83 -30.83 51.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -107.16 93.24 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -42.67 -45.88 4.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.01 -42.99 81.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -64.58 -37.31 87.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.02 -50.01 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.96 -42.58 94.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -47.42 -33.49 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.2 mtp -90.63 -39.83 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.96 -42.22 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.5 m -60.2 -40.38 89.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.77 -30.72 24.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.64 -38.45 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.5 mm -120.15 94.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -106.34 101.46 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 mp -74.33 154.4 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -61.95 -32.11 72.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.9 p -66.72 -35.3 79.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.83 -162.0 29.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 175.15 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 85' ' ' ALA . 48.2 t -88.52 143.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -122.33 -29.46 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -145.33 166.36 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mm? -119.06 160.12 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 65.4 m-85 -155.06 126.14 7.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.9 p -71.87 179.12 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.96 -16.53 59.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.06 -15.93 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.01 21.49 10.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -91.15 142.31 27.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.5 tp -98.87 132.01 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 73' ' ' SER . 92.2 t -112.43 99.92 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -92.31 7.16 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 5.4 t -151.81 158.93 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 29.93 2.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -22.17 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.48 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 17.5 mt-10 -83.93 -22.51 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.12 145.36 55.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -131.13 162.34 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 7.1 p-10 -80.96 106.68 13.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.81 37.32 5.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -122.31 174.81 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' HD23 ' A' ' 100' ' ' LEU . 56.6 m-85 -114.85 153.28 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 76.8 m-85 -158.56 131.05 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t -88.62 135.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.417 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . . . -90.26 121.7 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.75 118.57 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.94 -133.97 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 9.1 mtp-105 -86.72 44.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.73 174.95 10.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.98 162.59 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 64' ' ' TYR . 86.6 t80 -82.08 102.2 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -66.69 79.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -42.55 99.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 25' ' ' LEU . 9.1 mt -136.07 151.36 73.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -105.44 -33.93 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -15.79 14.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.67 -36.71 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.88 -27.08 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD23 ' CD2' ' A' ' 82' ' ' PHE . 2.1 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 159.58 52.83 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.377 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -130.19 125.01 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -89.56 121.35 31.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 pt -127.74 147.54 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' C ' HD22 ' A' ' 19' ' ' LEU . 81.2 m-85 -95.98 135.04 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 mm? -113.94 138.19 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.2 mt -128.51 148.97 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -74.95 122.2 23.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -56.53 114.69 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.26 -3.29 58.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.11 110.31 22.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 94' ' ' LEU . 3.3 mm? -114.24 19.31 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.54 -46.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.6 m-80 -91.11 143.18 28.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.92 -175.92 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -130.02 105.48 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -55.46 96.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.43 137.31 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 34' ' ' ILE . 6.2 tp -107.77 149.33 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 ' N ' ' HG ' ' A' ' 33' ' ' LEU . 49.3 mt -130.57 124.38 20.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.728 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -36.19 -54.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -43.99 -48.94 8.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.2 m -71.18 -41.08 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -48.6 -23.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.62 -37.49 73.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.04 124.9 48.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 35.9 t-105 -71.29 -44.21 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -31.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -72.98 -27.03 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.55 -50.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' CD1' HD11 ' A' ' 63' ' ' LEU . 2.3 mm? -56.87 -37.82 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 17.0 tp60 -55.53 -33.04 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.5 mtp -93.31 -37.53 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.14 -36.49 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.0 m -63.53 -41.23 98.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.23 -37.45 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.1 mptt -89.22 -45.3 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 37.7 mm -113.2 99.96 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -98.89 102.43 14.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 mt -71.92 144.58 48.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.44 -20.12 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -86.29 -8.38 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.18 -163.9 21.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.75 167.07 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 t -79.34 149.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -125.2 -30.9 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' VAL . 36.6 mtm180 -147.19 178.46 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mp -139.54 158.8 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 28.0 m-85 -148.88 133.75 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -68.32 173.48 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -71.88 -10.67 60.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -93.39 -16.34 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 -5.48 24.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -60.55 160.35 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.461 HD23 ' CG ' ' A' ' 72' ' ' GLU . 7.1 tt -118.65 137.35 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 73' ' ' SER . 21.4 t -119.4 106.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 32.9 mt-10 -87.39 -21.69 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 85.1 p -141.37 179.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.72 23.5 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.22 -22.92 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 12.8 mt-10 -96.71 9.81 40.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.29 -177.6 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.581 ' N ' ' HH ' ' A' ' 83' ' ' TYR . 20.9 tp10 -160.05 156.51 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -83.13 113.01 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.81 35.63 15.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -120.75 174.17 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CE2' HD22 ' A' ' 100' ' ' LEU . 19.2 m-85 -112.2 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.581 ' HH ' ' N ' ' A' ' 78' ' ' GLU . 97.4 m-85 -147.78 129.32 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.1 t -81.82 137.82 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.47 109.01 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' ARG . 74.2 t -105.32 127.34 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.55 -136.64 5.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 32.8 mtp180 -86.75 39.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.78 166.75 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -64.19 162.74 13.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 93' ' ' LYS . 8.6 t80 -95.86 114.94 26.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -74.53 102.03 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 91' ' ' PHE . 5.9 tmtt? -56.93 91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' CB ' HD21 ' A' ' 25' ' ' LEU . 75.6 mt -129.19 151.51 77.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.92 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.43 -33.79 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.16 -14.13 38.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -84.52 -29.23 26.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.96 -18.93 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.1 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.22 19.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.13 144.88 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -112.51 109.2 18.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 ' CD1' HD12 ' A' ' 34' ' ' ILE . 22.1 pt -119.98 153.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.539 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 22.2 m-85 -100.85 137.39 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.9 mm? -112.68 148.2 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mt -142.02 142.0 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -73.65 118.88 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.2 p-10 -57.46 118.3 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.04 6.76 55.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 94' ' ' LEU . 4.2 mm? -113.83 8.57 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.94 -37.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.33 139.43 24.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -169.55 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.28 177.1 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -131.23 104.83 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -62.46 99.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -110.97 137.05 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 tp -100.92 141.67 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 17' ' ' ILE . 2.1 mt -126.98 119.43 22.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.45 57.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -46.41 -43.57 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.7 pttm -52.77 -32.35 43.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 55.1 m -80.4 -40.89 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -35.21 26.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -56.58 -28.7 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -114.28 143.0 45.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 31.8 t-105 -90.97 -27.89 18.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.51 -28.69 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -74.09 -21.08 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.17 -41.58 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.28 -38.69 91.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 19.7 tp60 -56.9 -32.26 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.3 mtp -91.01 -26.55 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 -40.59 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -61.26 -40.01 92.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -47.47 -31.47 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -96.57 -46.08 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 34.0 mm -108.87 95.45 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -95.53 109.09 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.94 135.89 34.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -53.66 -20.84 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -26.64 35.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.22 -138.42 6.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.36 178.94 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 t -82.88 140.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 35.0 m-70 -121.06 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -136.92 176.82 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -133.0 141.04 48.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.527 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -140.6 129.33 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.9 p -71.66 -174.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.08 -9.38 59.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -95.26 -21.08 18.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.56 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.14 15.04 12.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -81.76 160.37 23.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.53 133.17 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.597 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 4.0 t -112.25 84.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.87 -28.27 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 51.5 p -142.01 160.55 39.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.99 0.17 12.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.77 -15.6 62.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 3.6 mt-10 -102.38 5.09 39.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.09 173.92 12.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -148.98 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -86.04 106.5 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 27.2 7.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -114.83 168.96 9.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.539 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.3 m-85 -114.16 144.33 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -143.23 138.97 30.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.15 140.64 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.45 109.02 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.6 t -105.83 125.62 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.19 -140.92 2.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.468 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 28.9 mtm105 -85.93 39.4 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.42 ' CG ' ' HD3' ' A' ' 90' ' ' LYS . 8.3 t0 -140.93 158.12 44.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HD3' ' CG ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -45.48 161.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 2.3 t80 -99.04 121.19 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -86.94 96.27 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -62.72 88.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 11.8 mt -116.26 153.4 48.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.222 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 65.3 m-85 -104.23 -32.78 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.81 -11.15 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -90.23 -33.58 16.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.25 -19.42 62.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 82' ' ' PHE . 2.4 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.675 0.75 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.458 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.71 171.84 13.67 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' ILE . 0.8 OUTLIER -121.25 129.84 53.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -104.03 98.02 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 ' CD1' HD12 ' A' ' 34' ' ' ILE . 23.4 pt -115.02 151.34 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 39.7 m-85 -99.06 140.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -112.89 153.07 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 21' ' ' ALA . 67.3 mt -142.6 137.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' HG23 ' A' ' 20' ' ' ILE . . . -70.12 107.53 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' CE ' ' A' ' 92' ' ' LYS . 23.1 t30 -49.44 121.05 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -8.03 57.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' HD22 ' A' ' 25' ' ' LEU . 4.3 t70 -102.42 114.46 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 99' ' ' LEU . 2.9 mm? -113.92 16.7 18.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.25 -42.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -93.51 141.45 23.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -168.2 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.9 -175.89 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -140.18 105.16 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 42.2 ttp180 -61.87 106.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.34 122.96 39.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 14' ' ' PRO . 6.9 tp -83.04 145.31 29.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 17' ' ' ILE . 13.1 mt -130.37 118.73 18.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.79 125.74 12.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' LEU . 2.3 tpp85 -35.51 -57.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -35.7 -43.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 54.6 m -75.83 -40.01 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' ARG . 4.3 mp -48.76 -25.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.05 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -111.67 106.5 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 14.4 t-105 -54.83 -39.66 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.29 -42.85 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -66.39 -38.19 86.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -58.23 -58.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.3 mt -49.19 -42.33 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -48.17 -27.02 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.1 mtm -95.75 -29.98 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.95 -31.77 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -74.98 -30.44 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.45 -33.05 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -98.31 -39.6 8.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.98 94.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.6 m -95.28 103.71 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.76 146.94 54.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 56' ' ' ARG . 18.6 ttp-105 -59.89 -38.15 81.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.4 m -69.69 -35.24 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.32 -137.36 4.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.86 -175.41 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -93.36 147.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 5.0 m-70 -127.78 -30.59 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -141.44 163.89 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 4.3 mm? -121.13 148.45 44.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . 63.3 m-85 -149.26 134.5 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.494 HG21 ' CE1' ' A' ' 83' ' ' TYR . 10.1 p -75.66 -174.67 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 97' ' ' GLY . 1.1 mt -77.55 -9.28 58.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -95.54 -24.25 16.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 12.66 11.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 160.4 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tt -120.06 118.78 31.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.545 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 14.4 t -104.77 81.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -57.52 -25.16 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.1 t -152.9 147.52 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.34 -20.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 14.2 mt-10 -103.97 -13.55 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.7 151.38 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 81' ' ' GLN . 6.0 tt0 -111.98 167.72 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 11.0 p-10 -94.46 103.67 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.53 24.84 34.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 24.5 tp60 -99.96 149.9 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 100' ' ' LEU . 35.7 m-85 -90.73 117.8 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.494 ' CE1' HG21 ' A' ' 65' ' ' THR . 84.9 m-85 -114.13 176.2 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' TYR . 48.9 t -131.95 139.91 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.4 114.23 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.52 113.92 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.63 -141.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.483 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 29.2 mtt180 -83.41 40.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -134.77 171.23 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.11 146.64 45.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 69.0 t80 -64.61 106.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.491 ' CE ' ' ND2' ' A' ' 22' ' ' ASN . 38.4 mtmt -69.21 80.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -42.79 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 9.0 mt -141.45 151.43 60.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.552 0.691 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.02 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 90.2 m-85 -102.95 -32.55 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HD11 ' A' ' 66' ' ' LEU . . . -53.87 -25.1 29.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 12.0 pt-20 -78.69 -41.45 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 13.9 mt -56.4 -28.11 58.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 54.3 Cg_endo -69.66 166.45 27.44 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' HD12 ' A' ' 33' ' ' LEU . 36.3 m -124.59 138.47 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.403 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.5 m -105.78 109.15 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 34' ' ' ILE . 18.4 pt -120.81 154.3 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 9.6 m-85 -105.14 130.84 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mm? -105.83 157.63 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.0 mt -143.97 140.51 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.41 125.33 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.78 127.19 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.02 89.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.51 115.83 31.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 94' ' ' LEU . 3.8 mm? -114.96 23.0 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -118.54 -42.85 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.73 137.51 33.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.57 178.6 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -136.2 109.59 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -67.72 104.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -122.12 137.08 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 15' ' ' CYS . 5.0 tp -96.89 139.47 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' CD1' HD11 ' A' ' 17' ' ' ILE . 18.0 mt -123.47 114.78 28.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 145.46 56.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -47.04 -53.86 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.5 ptpp? -45.4 -24.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 m -99.27 -41.0 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.1 -43.14 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 2.2 p30 -59.7 -40.74 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.74 95.89 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.477 ' CE3' ' N ' ' A' ' 74' ' ' GLY . 19.2 t-105 -58.43 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -71.73 -21.31 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -85.3 -33.16 22.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.23 -40.24 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -39.62 82.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -59.34 -30.28 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.0 mtp -91.25 -36.74 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.26 -37.62 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.0 m -64.47 -33.8 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -56.57 -25.31 51.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -102.75 -40.93 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.22 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -82.68 100.41 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.22 135.21 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -47.44 -40.27 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -67.89 -30.93 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.01 -121.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.24 175.47 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 61' ' ' HIS . 14.0 p -90.96 141.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.496 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 2.7 m-70 -119.8 -18.74 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -146.98 168.45 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 156.77 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 64.4 m-85 -150.57 131.22 13.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.2 p -74.92 176.25 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 66' ' ' LEU . 7.7 mp -73.05 -12.49 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.59 -11.9 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.42 -11.78 30.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.16 150.55 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.11 140.24 48.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 73' ' ' SER . 26.0 t -112.04 97.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.75 -8.36 53.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 14.8 t -163.23 146.02 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -51.67 -15.34 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.47 -24.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 11.6 mt-10 -92.07 -33.15 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -41.72 133.82 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -106.09 159.35 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -86.3 91.63 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.97 2.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -119.65 174.0 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 61.5 m-85 -111.24 144.65 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -148.1 159.96 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 85' ' ' ALA . 64.5 t -115.0 137.89 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -90.81 109.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' A' ' 64' ' ' TYR . 24.9 t -105.11 128.41 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -90.35 -159.67 35.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 10.8 mmm180 -42.03 -25.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.9 OUTLIER -75.53 173.54 10.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -178.3 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 69.6 t80 -86.77 113.54 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' LYS . 32.8 mttp -89.86 79.55 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . 12.5 tttp -37.6 115.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 22.4 mt -149.61 154.83 38.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.7 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.19 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 61.5 m-85 -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.64 -28.95 7.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 13.9 pt-20 -75.8 -41.81 51.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 mt -58.45 -27.45 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 4.1 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 175.24 8.34 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -152.42 110.66 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -74.48 120.72 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.1 pt -127.15 160.62 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 43.7 m-85 -110.45 138.44 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.4 mm? -114.07 151.05 33.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.464 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 84.1 mt -143.45 142.44 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -71.42 125.63 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -57.62 135.77 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.14 23.08 77.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -117.56 118.55 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.49 24.02 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -116.08 -46.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.36 146.04 35.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -96.56 -179.09 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -132.46 112.4 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -66.76 91.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 17' ' ' ILE . 9.8 tp -114.24 123.61 49.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -101.66 150.99 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 mt -119.86 125.74 27.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -34.44 -58.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -41.58 -49.39 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -71.17 -42.62 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -46.15 -23.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -77.49 -35.75 53.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -98.63 111.27 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.7 t-105 -66.44 -35.5 80.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -41.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.01 -32.95 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.72 -41.78 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.0 mt -69.5 -33.93 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -62.37 -35.09 78.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 49' ' ' VAL . 5.8 ptm -89.37 -38.85 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 48' ' ' MET . 19.4 t -53.98 -37.78 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.5 m -66.81 -36.49 82.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -51.99 -35.56 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -90.65 -39.94 12.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 32.1 mm -116.6 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -88.84 100.09 12.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.22 141.0 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -54.34 -39.9 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 m -67.25 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.37 -110.44 0.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.79 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 61' ' ' HIS . 42.5 t -91.14 144.0 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.2 m170 -123.7 -19.84 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -146.73 164.17 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.13 146.42 45.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.449 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 45.7 m-85 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 p -73.64 168.88 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 97' ' ' GLY . 6.0 mt -62.01 -20.1 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.34 -24.17 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.66 -2.26 24.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.91 152.54 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 15.9 tp -108.87 135.39 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 21.9 t -106.09 83.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -54.17 -26.8 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ALA . 78.9 p -150.22 140.31 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.69 -20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.37 -23.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.731 0.3 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 25.1 mt-10 -90.48 -28.59 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' GLY . 63.1 mt -46.64 174.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.04 158.64 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 5.6 p-10 -80.27 108.68 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 35.97 6.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -122.19 171.63 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 14.6 m-85 -114.33 154.89 27.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.414 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 97.1 m-85 -157.82 129.57 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.9 t -84.85 137.1 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.2 121.12 31.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.4 t -119.18 124.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.18 -145.51 17.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -56.54 -25.02 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -78.45 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -56.38 168.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 13.6 t80 -93.07 121.94 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -93.98 87.79 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.37 92.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.5 mt -120.82 154.82 57.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 104.98 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 83.7 m-85 -107.53 -29.01 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -19.51 32.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.4 -32.31 32.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 mt -72.18 -23.16 61.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.31 9.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.97 137.53 39.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -100.27 114.99 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.84 146.04 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 19.8 m-85 -95.79 133.41 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.578 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -108.82 145.39 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -133.64 131.88 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 117.97 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -50.61 132.72 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 78.66 11.14 85.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 120.07 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.22 -4.67 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -94.95 -28.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.08 139.61 20.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -175.42 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.25 -179.14 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -134.75 102.68 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.549 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 ttp180 -64.88 99.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 tp -118.22 129.85 55.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 tp -87.93 147.59 24.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -134.22 121.6 15.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 127.17 14.19 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . 2.9 tmt_? -36.46 -58.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -35.16 -41.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -77.92 -42.35 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 4.0 mp -45.7 -24.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -100.5 121.28 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 8.8 t-105 -71.66 -32.44 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.76 -36.29 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.43 -41.19 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.68 -56.84 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -52.19 -41.01 62.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -48.63 -29.49 4.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.2 mtm -94.85 -31.3 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.38 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -67.25 -37.18 83.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.61 -29.95 64.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -95.92 -40.19 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.79 88.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -86.05 100.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.31 140.78 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -53.7 -40.87 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 p -66.41 -32.18 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.03 -132.87 3.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.63 178.08 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.6 t -83.67 148.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 88' ' ' ARG . 12.1 m-70 -127.42 -31.7 2.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -149.24 166.58 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -119.66 148.79 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -142.73 136.67 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.3 p -82.32 165.29 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.4 mp -58.12 -23.65 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -83.34 -12.19 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.01 55.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -71.54 152.96 42.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.9 tp -103.88 144.25 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.558 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 45.0 t -117.41 81.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -53.76 -20.8 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 7.4 t -161.3 143.64 12.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.505 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -39.24 -24.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -42.3 -31.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 23.6 mt-10 -87.19 -29.29 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 83' ' ' TYR . 86.8 mt -55.47 165.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' CB ' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -132.58 160.71 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 22.4 p-10 -82.46 97.57 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.11 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.458 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 8.3 mt-30 -117.83 171.53 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 100' ' ' LEU . 56.4 m-85 -105.72 151.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 77' ' ' LEU . 89.0 m-85 -156.83 137.35 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.39 139.67 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.62 109.92 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.03 120.48 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -97.63 -159.78 30.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 2.6 ptm180 -37.28 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' GLY . 16.4 p30 -75.61 149.62 38.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -69.14 157.92 35.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -67.41 150.54 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -120.79 107.9 13.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 99.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 23.6 mt -136.04 147.51 61.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 103.69 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 51.4 m-85 -103.02 -30.85 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -53.27 -17.61 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.98 -30.35 26.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.11 -17.12 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 82' ' ' PHE . 10.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.42 21.62 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' C ' HD13 ' A' ' 33' ' ' LEU . 57.6 m -124.56 124.52 42.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -89.9 114.43 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 pt -119.8 153.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -105.23 133.31 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.594 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -109.84 159.82 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 21' ' ' ALA . 73.3 mt -151.81 134.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -65.66 128.69 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.5 115.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.09 20.4 33.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' C ' HD21 ' A' ' 25' ' ' LEU . 10.2 t70 -119.94 113.49 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 25' ' ' LEU . 2.5 mm? -116.37 18.17 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.08 -44.06 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.95 143.37 26.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.04 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 -177.73 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.0 m -133.15 101.57 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.94 97.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.96 128.67 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 15' ' ' CYS . 5.0 tp -97.27 141.05 30.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 39' ' ' LEU . 2.1 mt -124.7 135.41 26.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HD2' ' CG2' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.75 153.72 68.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.394 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 4.8 tpt180 -69.3 1.12 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -96.02 -38.53 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 44' ' ' HIS . 2.7 m -102.61 -46.64 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -47.04 -42.99 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 36' ' ' ARG . 68.5 m-20 -51.01 -35.73 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -84.38 179.81 7.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 9.8 t-105 -114.88 -61.53 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.33 -31.13 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.5 m170 -80.14 -23.39 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.47 -44.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 42' ' ' TRP . 1.9 mm? -61.82 -26.62 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.9 tp60 -79.49 -19.44 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 mtp -96.25 -41.07 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 46' ' ' LEU . 7.6 p -56.21 -47.79 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.3 m -49.99 -42.67 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -48.67 -27.37 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -103.7 -40.66 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.75 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -91.22 109.2 20.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.4 166.29 18.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.11 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.5 t -65.77 -27.75 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.93 -15.66 16.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.4 162.18 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 61' ' ' HIS . 8.6 p -95.88 146.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.489 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 4.9 m-70 -117.17 -26.49 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -146.43 155.09 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 46' ' ' LEU . 2.2 mm? -109.62 157.49 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 58.8 m-85 -152.44 122.08 6.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 ' CE2' ' A' ' 83' ' ' TYR . 52.7 p -69.71 172.04 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.1 -23.78 64.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.55 -13.41 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.06 6.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -103.06 140.18 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.12 136.32 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.598 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 38.6 t -107.89 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.26 -18.74 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 32.4 p -154.65 151.5 28.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.46 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -54.8 -12.09 3.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.463 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.88 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mt-10 -93.56 -18.64 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.41 106.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -93.12 160.72 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -85.3 102.57 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.19 31.82 4.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -119.79 169.04 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 41.7 m-85 -112.12 141.0 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.454 ' CE2' HG22 ' A' ' 65' ' ' THR . 89.4 m-85 -143.67 152.86 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 t -112.01 137.39 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.91 113.47 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.77 134.24 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.85 -131.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 12.7 mtm105 -98.48 46.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -150.75 172.52 15.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -51.2 -176.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.5 t80 -110.45 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -73.59 81.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 18.9 tttm -55.17 106.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 96' ' ' TYR . 10.4 mt -131.2 153.67 81.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 106.09 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 94' ' ' LEU . 77.1 m-85 -110.1 -29.3 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -43.27 -34.29 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -76.08 -38.72 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.98 -27.6 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 171.24 14.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -127.97 134.78 49.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -101.98 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.24 150.45 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 9.4 m-85 -99.34 134.25 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -109.17 154.14 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -143.41 145.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 114.48 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.49 133.9 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 -3.58 84.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -102.33 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 94' ' ' LEU . 1.3 mm? -120.42 24.9 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 2.6 mp -118.49 -37.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -96.13 140.43 22.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.96 -175.24 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -141.3 110.23 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 20.2 ttp-105 -67.22 101.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.23 140.52 49.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 tp -103.09 141.08 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 mt -130.48 118.9 18.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.8 125.83 12.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -31.72 -42.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -47.74 -50.86 24.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 42.0 m -68.95 -40.31 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 4.7 mp -46.76 -27.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.63 -38.27 90.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -105.54 98.21 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -49.44 -47.18 48.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -51.78 -45.28 63.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -64.29 -23.56 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.41 -42.96 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -69.22 -30.48 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 20.2 tp60 -62.08 -31.58 72.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.414 ' HG2' ' N ' ' A' ' 49' ' ' VAL . 5.1 ptm -93.37 -36.62 12.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 48' ' ' MET . 42.5 t -60.27 -32.05 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.6 m -69.2 -31.31 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.16 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -96.28 -39.87 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -120.01 87.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.4 m -88.03 108.32 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 143.27 42.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -59.45 -21.4 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.2 p -79.04 -31.05 44.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.74 -111.43 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.54 -179.5 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.84 143.12 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.9 m170 -126.58 -28.88 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -143.04 164.39 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.72 157.71 26.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.489 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 53.1 m-85 -150.06 124.81 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.557 HG22 ' CE2' ' A' ' 83' ' ' TYR . 44.1 p -75.99 167.95 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.6 mp -65.86 -18.99 65.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -82.21 -16.98 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.64 13.86 28.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.9 tptm -84.45 152.62 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 8.8 tp -106.9 135.51 48.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 1.9 t -115.71 101.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.15 -2.99 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -158.49 172.35 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.07 26.1 3.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.05 -17.26 17.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 16.4 mt-10 -107.27 16.98 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.75 -179.03 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -154.07 158.73 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -93.56 107.93 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.3 42.03 5.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -124.36 173.17 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 51.1 m-85 -113.9 132.82 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' HG22 ' A' ' 65' ' ' THR . 57.1 m-85 -130.32 173.51 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -129.09 135.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.96 115.87 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.99 119.46 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.83 -129.32 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -85.46 28.15 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.52 163.85 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.09 144.44 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 88.8 t80 -63.99 120.83 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -93.18 76.16 4.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 39.7 tptt -40.9 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 38.5 mt -136.24 154.98 77.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 105.42 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 44.2 m-85 -100.56 -31.65 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -46.28 -29.5 3.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 15.0 pt-20 -76.6 -41.52 45.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mt -60.47 -26.82 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.819 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.7 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.642 0.734 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 54.1 Cg_endo -69.7 175.55 7.91 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 t -137.49 139.61 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -103.69 115.5 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.0 pt -124.48 150.78 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 14.5 m-85 -95.03 147.91 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.68 131.17 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 29' ' ' ALA . 79.7 mt -123.33 140.8 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CA ' HG23 ' A' ' 53' ' ' ILE . . . -68.09 131.09 44.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 30.6 t-20 -57.17 133.43 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 66.7 28.87 73.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -119.32 128.21 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 94' ' ' LEU . 5.5 mt -134.97 4.75 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -97.79 -33.47 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.98 147.69 34.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -166.45 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -94.35 -175.67 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -135.0 102.38 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -67.49 102.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.64 123.41 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 15' ' ' CYS . 6.8 tp -82.8 148.04 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.8 mt -124.94 126.37 25.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -46.61 -29.94 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.41 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 m -83.78 -32.81 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 18.1 mt -48.51 -33.94 10.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.68 -32.44 74.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -106.64 111.4 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 31.9 t-105 -61.26 -45.09 95.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.88 -48.21 70.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -55.6 -38.96 70.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 2.8 mm? -60.98 -39.54 90.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -57.74 -32.48 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.7 mtp -88.61 -24.56 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 t -75.5 -36.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -65.85 -39.86 91.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -52.87 -32.36 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -92.23 -45.07 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 HG23 ' CA ' ' A' ' 21' ' ' ALA . 45.1 mm -114.38 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -90.67 100.78 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.36 157.58 36.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -68.81 -34.52 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 p -68.45 -35.56 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.96 -150.5 22.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.29 164.45 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 61' ' ' HIS . 11.8 t -86.82 146.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.0 m-70 -121.57 -32.68 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -142.52 -176.28 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD13 ' CH2' ' A' ' 42' ' ' TRP . 2.7 mp -139.08 159.45 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 37.3 m-85 -148.32 130.8 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 69' ' ' LYS . 40.5 p -66.23 176.5 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 97' ' ' GLY . 1.6 mt -71.71 -14.5 62.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -94.51 -19.06 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.461 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 114.05 5.41 21.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 65' ' ' THR . 27.6 tptt -62.72 159.58 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD1' ' CD ' ' A' ' 72' ' ' GLU . 2.9 tm? -114.92 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 26.2 t -123.46 119.18 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' CD ' ' CD1' ' A' ' 70' ' ' LEU . 10.7 mp0 -105.19 8.86 34.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.566 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.5 t -167.69 157.95 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -64.36 -2.24 6.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -28.29 68.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.489 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 15.5 mt-10 -93.06 11.98 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 90.3 mt -97.4 136.44 37.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -120.8 166.61 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 13.3 p-10 -86.58 98.63 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.76 24.66 6.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.99 169.41 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 100' ' ' LEU . 58.8 m-85 -114.07 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -150.5 127.25 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 85' ' ' ALA . 98.0 t -80.85 138.0 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -89.33 107.92 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 87' ' ' GLY . 44.7 t -97.44 136.26 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.447 ' N ' HG11 ' A' ' 86' ' ' VAL . . . -105.53 -122.83 5.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 65.0 mtt180 -91.63 42.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -146.69 166.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.11 158.2 29.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 70.2 t80 -74.33 117.52 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' LEU . 21.8 mtpt -78.7 95.27 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HE2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -47.57 88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' LYS . 13.8 mt -134.07 152.13 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 103.93 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.256 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CB ' HD22 ' A' ' 66' ' ' LEU . 85.2 m-85 -97.95 -37.28 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.465 ' N ' HD11 ' A' ' 66' ' ' LEU . . . -55.39 -18.8 15.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.13 -37.36 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.75 -21.05 66.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 19.9 tp10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 54.0 Cg_endo -69.76 174.99 8.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.3 t -139.14 139.4 37.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.451 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 14.3 m -106.36 117.34 33.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 pt -127.5 156.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 89.2 m-85 -103.01 131.06 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.2 mm? -108.45 153.0 23.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.1 mt -142.68 144.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . . . -69.4 121.5 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.422 ' CG ' HG22 ' A' ' 86' ' ' VAL . 39.3 t30 -56.89 130.8 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HG3' ' A' ' 92' ' ' LYS . . . 76.99 7.99 86.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 1.4 t70 -114.28 114.0 25.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD22 ' CB ' ' A' ' 94' ' ' LEU . 2.9 mm? -121.12 24.42 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.16 -34.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -101.64 153.83 37.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.93 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.45 177.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -130.33 104.28 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.56 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 13.5 ttp180 -67.16 98.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.09 132.81 55.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.5 tp -94.87 138.51 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.42 118.9 30.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.75 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 35' ' ' PRO . 2.3 tmt_? -32.02 -41.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.73 -50.45 44.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 99.1 m -69.42 -40.21 77.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -45.47 -29.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.63 -35.63 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' HIS . 1.6 mp0 -100.81 75.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 30.6 t-105 -35.85 -45.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -55.62 -45.16 77.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLN . 20.6 m170 -61.31 -29.21 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -69.03 -46.81 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 3.1 mm? -63.89 -28.3 69.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 37.9 tp60 -74.06 -22.64 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.9 mtp -95.56 -49.25 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 60' ' ' VAL . 1.5 p -48.22 -36.68 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.3 -44.57 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.44 -28.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.6 mm -112.29 96.92 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -99.35 115.86 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -91.66 141.73 28.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -52.78 -36.51 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -71.01 -29.91 65.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.04 177.18 16.89 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.61 164.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 49' ' ' VAL . 8.2 p -82.67 148.86 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.8 m-70 -123.62 -20.55 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -142.98 169.72 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -125.42 155.58 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 36.7 m-85 -144.72 167.72 21.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.9 p -117.19 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 66' ' ' LEU . 8.5 mp -77.08 -18.28 58.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -86.83 -14.06 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.78 25.69 8.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 20.5 tptt -100.34 147.8 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 4.1 tp -103.74 126.82 51.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 73' ' ' SER . 22.2 t -98.26 112.14 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.83 -15.43 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 87.5 p -141.64 168.76 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 28.81 2.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.57 -18.03 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 18.2 mt-10 -94.91 21.76 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.35 176.39 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.37 175.36 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -105.78 107.02 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.68 20.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -108.78 169.03 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 100' ' ' LEU . 60.6 m-85 -114.84 149.34 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 15.8 m-85 -145.55 -179.32 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.8 t -136.87 132.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.6 112.08 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG22 ' CG ' ' A' ' 22' ' ' ASN . 45.9 t -103.97 131.61 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.26 -142.1 12.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.21 -10.44 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -91.03 171.7 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 170.91 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.504 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 13.8 t80 -82.42 118.23 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.475 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -85.27 96.59 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -70.38 93.36 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.6 mm? -128.2 157.5 74.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.25 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 69.0 m-85 -97.74 -36.03 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.47 -28.93 6.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 7.3 pt-20 -73.44 -42.73 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 18.0 mt -58.58 -27.01 64.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 82' ' ' PHE . 1.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 20.5 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.8 Cg_endo -69.75 171.1 15.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -130.8 133.03 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.445 ' CA ' HD11 ' A' ' 33' ' ' LEU . 9.4 m -95.29 107.73 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -112.3 160.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.411 ' C ' HD21 ' A' ' 19' ' ' LEU . 63.4 m-85 -106.09 143.77 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mm? -117.14 155.92 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.553 HG23 ' CE1' ' A' ' 96' ' ' TYR . 72.2 mt -147.79 132.29 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 115.0 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.76 123.95 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.3 37.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.11 112.04 13.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 94' ' ' LEU . 3.9 mm? -120.13 27.89 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.0 mm -118.62 -40.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.75 149.94 36.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -166.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.09 -175.52 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -131.95 117.39 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 ttm105 -75.15 111.8 10.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tp -133.72 142.69 48.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 HD11 ' CA ' ' A' ' 16' ' ' THR . 9.0 tp -105.1 142.95 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.3 mt -125.92 116.24 24.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.749 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 144.01 52.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -43.98 -49.11 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -45.97 -39.69 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -83.29 -44.65 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -46.1 -31.39 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -96.98 118.35 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 22.3 t-105 -67.83 -47.66 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.86 -41.72 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -63.41 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.0 -51.0 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.66 -25.21 66.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 10.0 tp60 -71.14 -30.41 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ptm -93.05 -34.89 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.57 -44.85 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.0 m -53.42 -40.61 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.11 -34.84 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -91.46 -45.9 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mm -115.19 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -102.02 99.74 9.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.84 133.14 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -45.29 -37.23 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -67.63 -32.02 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.25 -157.78 27.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 61' ' ' HIS . . . -71.63 179.41 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 t -86.97 139.64 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.2 m-70 -126.41 -26.16 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' CD ' HD21 ' A' ' 70' ' ' LEU . 9.3 mmt85 -135.7 153.44 51.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -122.7 141.45 51.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' N ' HD12 ' A' ' 63' ' ' LEU . 51.7 m-85 -145.33 141.39 28.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -88.75 163.96 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.04 -22.41 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.42 -30.06 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.34 5.58 22.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 2.2 tmtt? -74.83 154.46 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 3.1 tm? -100.75 133.35 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.516 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 11.7 t -107.01 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 30.1 mt-10 -63.66 -15.82 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.546 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.2 t -157.23 150.27 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -55.63 -11.5 4.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.9 -23.48 31.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 14.3 mt-10 -95.71 23.63 6.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 42.6 mt -106.68 117.27 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -90.67 155.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.49 103.97 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.55 35.71 3.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.11 175.81 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CE2' HD23 ' A' ' 100' ' ' LEU . 95.9 m-85 -114.24 148.51 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 29.2 m-85 -150.41 136.11 18.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 HG22 ' CE2' ' A' ' 96' ' ' TYR . 21.8 t -92.33 135.3 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.85 111.67 23.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -99.65 124.86 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.1 -144.57 10.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -78.8 48.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -155.68 148.05 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 148.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 24.4 t80 -72.78 137.44 45.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -107.11 81.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 22.0 ttmt -52.76 108.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.571 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.3 mt -132.65 154.61 81.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 90.4 m-85 -102.58 -30.01 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.464 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -48.6 -25.21 4.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.17 -34.73 42.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.4 -27.33 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' CE2' ' A' ' 82' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.653 0.739 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.64 37.5 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -136.72 125.18 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -87.76 113.34 23.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.5 pt -125.58 152.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 80.4 m-85 -96.56 141.29 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -118.57 155.75 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -147.15 137.19 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -64.37 122.85 17.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 5.8 t30 -48.67 133.89 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.17 31.97 74.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.39 113.15 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -115.92 2.71 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mm -97.21 -33.35 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.41 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.22 178.26 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -141.35 111.19 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.67 102.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -113.59 117.95 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tp -88.49 141.75 28.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 45' ' ' VAL . 37.7 mt -129.48 116.1 18.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.671 0.748 . . . . 0.0 111.122 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.9 Cg_endo -69.79 138.08 36.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.2 tpt180 -37.28 -49.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -47.49 -48.69 27.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.2 m -71.95 -33.75 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.58 -12.65 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.02 -17.66 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -118.39 148.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CE2' HD23 ' A' ' 46' ' ' LEU . 1.9 t-105 -98.75 -40.57 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.89 -15.11 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -93.99 -36.76 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 46' ' ' LEU . 2.8 p -74.27 -44.62 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -60.78 -23.59 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.1 tp60 -83.17 -21.05 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 mtm -94.38 -37.9 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG13 ' CG1' ' A' ' 60' ' ' VAL . 4.8 p -57.91 -51.76 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' GLU . 67.6 m -42.56 -48.31 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 40.8 mt-10 -36.76 -41.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 7.2 mptt -84.25 -45.4 12.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 33.4 mm -111.96 96.53 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -96.04 99.8 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 138.03 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -51.53 -38.77 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.5 p -67.43 -26.98 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.99 -109.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.09 175.2 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 49' ' ' VAL . 7.2 p -93.11 148.48 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.5 m170 -125.44 -23.19 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' HD21 ' A' ' 63' ' ' LEU . 1.7 mtp180 -128.26 -179.16 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD21 ' C ' ' A' ' 62' ' ' ARG . 3.9 mm? -138.11 137.77 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CE1' HD13 ' A' ' 70' ' ' LEU . 11.8 m-85 -138.53 139.85 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -92.75 165.92 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 66' ' ' LEU . 6.0 mp -61.04 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.82 -18.31 62.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.52 22.42 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -99.15 144.22 28.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 64' ' ' TYR . 13.9 tp -97.69 142.94 28.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 73' ' ' SER . 3.5 t -109.48 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.06 -21.31 56.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 90.7 p -146.08 175.89 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.22 29.3 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -18.81 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 23.0 mt-10 -98.13 25.75 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -101.44 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -158.45 158.98 35.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -85.94 127.63 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.52 55.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -120.56 170.15 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CE1' HD21 ' A' ' 100' ' ' LEU . 73.0 m-85 -110.21 145.82 36.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -147.56 123.13 10.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 60.0 t -81.66 131.85 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 60' ' ' VAL . . . -89.52 107.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -97.35 118.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.84 -153.82 24.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG2' ' NE2' ' A' ' 61' ' ' HIS . 4.7 mmp_? -51.6 -24.93 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.1 163.15 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 170.55 12.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 19.0 t80 -89.52 105.77 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -75.75 80.35 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 5.6 tmtm? -40.13 113.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 59.9 mt -145.63 155.56 52.79 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 88.6 m-85 -102.21 -28.25 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.431 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -55.09 -17.61 10.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.96 -28.75 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.13 -16.56 59.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' ' 82' ' ' PHE . 7.1 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.634 0.73 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.1 32.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 m -137.77 125.49 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -91.04 102.8 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 pt -113.31 146.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CD2' ' CE1' ' A' ' 82' ' ' PHE . 94.5 m-85 -94.68 141.23 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.8 mm? -118.21 155.49 30.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -144.65 137.34 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.77 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.59 130.2 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 8.88 85.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.9 114.52 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 94' ' ' LEU . 2.9 mm? -121.11 20.44 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.85 -40.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.86 148.04 34.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -175.09 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -134.87 101.1 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -58.62 117.92 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.06 130.18 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -97.21 139.76 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mt -125.79 126.6 24.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 144.74 55.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -52.02 -24.58 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 21.9 tttm -72.68 -28.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.41 HG22 ' CB ' ' A' ' 44' ' ' HIS . 3.7 m -98.08 -22.9 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.09 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.72 -38.88 77.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 10.4 mm100 -89.47 119.28 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.444 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 36.2 t-105 -74.65 -26.13 59.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.9 -32.03 65.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CB ' HG22 ' A' ' 38' ' ' THR . 11.4 m170 -71.66 -30.65 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.77 -45.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -90.96 -30.63 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mtm -89.19 -25.93 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.99 -33.25 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.5 m -64.0 -43.29 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -49.23 -32.47 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -92.93 -44.63 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.4 mm -110.14 100.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.8 m -93.51 101.08 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.63 136.46 51.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -54.78 -28.3 47.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 p -82.04 -26.76 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.8 -134.28 4.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.5 -178.7 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 85' ' ' ALA . 71.6 t -88.65 143.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 10.2 m-70 -124.2 -23.29 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -154.83 157.74 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.8 mm? -111.66 156.91 21.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -151.65 129.19 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -73.59 -179.25 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -89.49 -13.14 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.41 9.1 42.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -77.33 157.84 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 tp -114.53 124.93 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 3.1 t -99.33 87.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -4.93 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.429 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 2.2 t -165.66 150.55 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.98 -10.3 6.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.65 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 4.6 mt-10 -98.85 -17.7 18.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -58.25 165.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -141.49 162.57 35.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -93.18 118.51 31.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.95 13.6 58.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -105.49 -179.46 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 100' ' ' LEU . 11.0 m-85 -120.99 151.18 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -150.28 130.71 13.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 96' ' ' TYR . 58.9 t -85.32 134.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 60' ' ' VAL . . . -90.87 118.53 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.09 130.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.42 -124.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 48.6 mtp180 -98.9 45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -150.15 136.8 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -36.22 152.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.1 t80 -80.39 122.33 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -79.5 85.68 5.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tmtt? -46.6 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 43.9 mt -143.16 153.41 59.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.05 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.516 ' CE2' HG22 ' A' ' 84' ' ' VAL . 87.4 m-85 -105.73 -32.31 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.35 -11.67 21.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.14 -31.64 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 82' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.61 18.49 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.5 t -137.2 133.93 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.442 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.9 m -101.46 115.86 31.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.5 pt -122.93 154.0 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 31' ' ' ARG . 86.3 m-85 -99.66 143.24 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -125.07 151.13 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.429 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 76.3 mt -140.45 153.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.43 133.19 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -66.93 130.46 43.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.54 15.31 81.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -113.42 117.26 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 94' ' ' LEU . 2.4 mm? -121.53 26.23 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -119.31 -40.27 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.29 136.96 21.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.76 2.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -78.53 175.42 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -130.93 123.24 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 10.4 ttt180 -73.26 117.64 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -132.37 135.51 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.4 tp -101.55 139.56 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -125.65 117.98 24.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.8 139.35 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 7.4 tpt180 -37.24 -41.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -51.65 -46.31 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' PRO . 89.0 m -74.25 -39.99 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -51.86 -34.35 40.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.51 -24.83 67.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -115.21 123.89 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' NE1' HD21 ' A' ' 46' ' ' LEU . 17.6 t-105 -74.4 -39.8 62.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.38 -44.51 88.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -55.73 -40.95 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' MET . 48.2 t -62.85 -61.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 2.1 mm? -47.59 -23.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -85.38 -29.79 24.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' VAL . 8.6 mtm -88.26 -52.13 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' CG1' ' A' ' 60' ' ' VAL . 2.1 p -46.46 -45.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 55.0 m -48.78 -55.15 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' THR . 25.9 mt-10 -38.52 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -41.81 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.94 97.09 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -93.76 103.88 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.31 156.34 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -62.69 -32.98 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -74.01 -29.22 61.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.55 -110.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.9 164.12 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' A' ' 49' ' ' VAL . 13.8 p -90.29 144.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.466 ' N ' HG23 ' A' ' 60' ' ' VAL . 5.6 m170 -121.99 -25.64 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -132.08 163.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.87 145.1 48.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CE1' HD22 ' A' ' 70' ' ' LEU . 57.8 m-85 -142.53 129.32 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 83' ' ' TYR . 6.9 p -68.71 177.44 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.86 -16.54 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.9 -25.63 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.37 23.42 5.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 4.2 tmtt? -89.7 153.6 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.516 HD22 ' CE1' ' A' ' 64' ' ' TYR . 2.3 tm? -102.87 132.48 49.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 73' ' ' SER . 5.9 t -112.92 85.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.67 -24.31 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.507 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -148.64 158.88 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -63.74 -3.4 7.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.57 -24.8 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 22.4 mt-10 -93.26 19.11 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -97.05 161.43 13.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 81' ' ' GLN . 2.6 tt0 -142.38 156.72 45.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 6.0 p30 -71.42 101.67 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.45 41.09 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 40.7 mm-40 -116.87 170.03 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 100' ' ' LEU . 48.8 m-85 -120.85 140.78 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.44 ' CD2' HG23 ' A' ' 65' ' ' THR . 80.7 m-85 -146.76 128.45 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.12 137.71 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.26 119.68 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' N ' HG21 ' A' ' 60' ' ' VAL . 45.7 t -113.48 129.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.3 -149.3 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -79.81 44.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.48 -177.24 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 150.8 39.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.426 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 18.4 t80 -80.98 110.1 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -73.38 85.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.15 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 21.9 mt -133.64 150.61 75.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.74 110.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 79.3 m-85 -114.13 -30.39 6.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -49.3 -19.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 95' ' ' PRO . 12.7 mp0 -85.56 -37.67 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.23 -24.4 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 82' ' ' PHE . 10.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 45.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.3 Cg_endo -69.87 170.55 16.45 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' C ' HD11 ' A' ' 33' ' ' LEU . 7.0 m -137.23 135.92 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 m -98.04 125.85 43.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CD1' HD12 ' A' ' 34' ' ' ILE . 24.2 pt -125.94 167.73 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.83 130.99 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -125.86 150.08 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 21' ' ' ALA . 42.1 mt -132.25 164.18 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' N ' ' CG2' ' A' ' 20' ' ' ILE . . . -89.99 115.99 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.1 p-10 -52.19 118.09 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.05 -19.07 50.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' C ' HD21 ' A' ' 25' ' ' LEU . 2.3 t70 -85.98 115.8 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 HD23 ' CD1' ' A' ' 94' ' ' LEU . 1.4 mm? -118.42 24.22 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 26' ' ' ILE . 4.4 mp -117.46 -46.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.76 142.33 24.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.36 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -80.07 -178.84 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.2 m -125.02 97.27 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -52.87 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 tp -119.62 130.02 54.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 15' ' ' CYS . 5.6 tp -87.1 150.54 23.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 17' ' ' ILE . 8.2 mt -131.94 119.38 16.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 111.145 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.89 49.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -50.25 -26.4 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.3 tmtp? -70.0 -31.92 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -89.35 -34.45 16.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.43 -24.39 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 24.4 p30 -79.14 -36.65 40.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 5.8 mm100 -98.01 121.72 40.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 46' ' ' LEU . 10.2 t-105 -75.42 -27.49 59.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -81.04 -9.37 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -95.95 -31.51 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.96 -36.75 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 42' ' ' TRP . 1.1 mm? -74.17 -13.25 60.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 42.2 tp60 -90.08 -22.56 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 ptm -96.27 -29.42 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 19' ' ' LEU . 7.3 p -65.24 -44.16 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.3 m -52.29 -45.51 65.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -52.17 -25.71 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -101.31 -30.23 11.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -121.38 86.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.2 m -84.44 104.5 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.52 162.36 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 14.5 ttp-105 -67.27 -44.54 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.51 -27.93 68.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.86 -117.99 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.23 166.53 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 49' ' ' VAL . 12.5 p -86.86 154.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.8 m-70 -132.27 -32.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -129.48 166.95 18.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 4.0 mm? -121.03 153.84 36.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 42.0 m-85 -152.08 130.67 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.8 p -74.1 -178.18 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.27 -15.3 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -91.05 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.98 19.12 9.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -75.8 162.1 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.7 tp -118.16 123.92 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 2.6 t -110.41 81.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -25.48 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.1 t -134.16 170.21 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.37 20.71 6.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 23.0 mt-10 -101.59 23.8 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.84 165.29 12.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -151.63 169.28 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.63 131.85 34.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.2 29.68 75.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.749 ' NE2' ' H ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -101.13 147.02 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.749 ' H ' ' NE2' ' A' ' 81' ' ' GLN . 69.4 m-85 -97.92 131.9 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 81' ' ' GLN . 80.2 m-85 -130.67 175.23 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' TYR . 98.9 t -129.27 130.32 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' HG21 ' A' ' 60' ' ' VAL . . . -89.59 108.36 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.409 ' N ' HG23 ' A' ' 60' ' ' VAL . 53.1 t -104.41 129.01 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.86 -150.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 58.9 mtt-85 -76.41 47.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.47 -178.54 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -75.49 146.72 40.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t80 -79.86 99.41 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -67.13 77.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.2 ttpm? -42.82 120.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.8 mt -148.26 155.36 42.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.505 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 95.9 m-85 -100.71 -35.06 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -49.93 -17.4 1.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.07 -32.68 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.06 -23.95 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 5.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.464 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.76 164.68 33.64 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -134.97 91.71 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.8 m -61.69 106.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 pt -119.32 150.69 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 26.5 m-85 -102.28 145.67 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 mm? -119.69 153.12 36.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 21' ' ' ALA . 66.0 mt -142.21 148.22 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 20' ' ' ILE . . . -80.78 121.18 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.24 116.88 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.34 -16.7 55.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.66 113.39 23.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 94' ' ' LEU . 4.5 mm? -120.73 28.56 7.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 mm -118.39 -38.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.7 145.57 30.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.52 174.62 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -127.48 96.46 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 27.1 ttp180 -49.36 105.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 52' ' ' LYS . 4.2 tp -122.14 117.52 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 5.7 tt -89.33 148.22 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.589 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 26.6 mt -133.03 130.47 21.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.76 129.26 17.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' PRO . 4.9 tpt180 -36.22 -38.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 1.3 tmmt? -51.67 -47.92 63.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.6 m -68.11 -42.72 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -45.81 -39.7 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -46.61 -34.83 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -106.09 166.74 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 15.6 t-105 -110.84 -34.91 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.16 -35.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -69.23 -40.21 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.1 t -58.08 -58.8 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -50.57 -39.12 48.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -50.89 -30.08 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mtm -92.4 -33.82 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.78 -38.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -66.96 -37.95 85.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.63 -32.01 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' CG ' HD12 ' A' ' 32' ' ' LEU . 61.9 mmtt -96.16 -43.58 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 21' ' ' ALA . 39.8 mm -115.99 97.86 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.8 m -98.44 101.71 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.39 138.87 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -47.13 -40.5 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -65.68 -31.21 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.73 -142.55 9.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.03 178.25 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -95.29 126.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.2 m-70 -106.17 -29.52 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' C ' HD23 ' A' ' 63' ' ' LEU . 13.4 mtm105 -136.24 158.7 43.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 62' ' ' ARG . 3.9 mm? -115.64 148.09 40.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -140.18 126.57 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -75.54 166.47 23.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.97 -28.66 62.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -77.89 -17.25 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 4.8 47.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.55 149.44 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.0 tp -98.54 144.12 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.593 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 67.9 t -116.64 84.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -56.84 -23.29 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ALA . 29.6 m -153.18 142.07 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.531 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.76 -21.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -43.34 -22.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 21.5 mt-10 -89.76 -32.59 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.553 HD23 ' CE2' ' A' ' 83' ' ' TYR . 79.5 mt -46.51 164.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' N ' ' OH ' ' A' ' 83' ' ' TYR . 20.7 tt0 -147.34 160.19 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.57 121.02 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.56 39.32 25.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -122.52 168.31 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 59.8 m-85 -112.38 144.5 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.553 ' CE2' HD23 ' A' ' 77' ' ' LEU . 53.9 m-85 -145.64 139.18 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.6 t -98.83 140.36 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.51 128.57 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.6 t -121.19 115.5 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.75 -143.64 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 26.7 mtp180 -83.61 44.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.21 153.86 40.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 157.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 25.1 t80 -86.28 125.72 33.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -90.81 87.48 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -51.89 106.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CB ' HD23 ' A' ' 25' ' ' LEU . 10.2 mt -134.05 153.34 79.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.92 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 62.4 m-85 -99.7 -32.57 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -51.81 -26.29 17.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.35 -37.29 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.47 -28.86 68.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 82' ' ' PHE . 24.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 142.77 48.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.58 145.49 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -105.77 113.07 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 pt -120.78 155.65 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 33.5 m-85 -100.4 151.82 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -124.07 153.76 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.465 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 78.2 mt -147.68 131.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 129.42 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.46 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -59.69 116.1 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.6 29.64 26.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.03 110.33 16.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 mt -110.65 -1.71 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.97 -31.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.47 137.16 20.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.665 2.244 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -89.34 179.84 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -136.17 116.05 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 31' ' ' ARG . 19.5 ttp-105 -73.45 112.67 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.89 124.53 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -86.27 145.82 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.86 121.12 21.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.74 136.22 32.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -39.43 -40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.02 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' PRO . 89.0 m -75.14 -43.74 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.69 -33.14 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -40.29 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -93.3 116.29 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.5 t-105 -70.09 -35.45 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.26 -42.23 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -58.64 -36.55 74.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.42 -40.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.94 -24.94 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 22.3 tp60 -80.69 -22.47 40.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mtm -95.53 -40.18 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 60' ' ' VAL . 5.3 p -53.42 -27.15 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -71.62 -47.34 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -44.17 -33.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -92.46 -45.25 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -115.84 97.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -93.46 99.77 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.02 138.79 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.9 ptt180 -53.18 -32.73 49.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 32.0 m -76.24 -18.06 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.02 -143.42 12.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.86 175.85 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 61' ' ' HIS . 66.9 t -89.69 139.97 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.466 ' N ' HG12 ' A' ' 60' ' ' VAL . 5.3 m-70 -118.14 -31.19 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.415 ' C ' HD23 ' A' ' 63' ' ' LEU . 16.2 ptp180 -138.27 167.35 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 63' ' ' LEU . 4.2 mm? -122.24 147.61 46.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -141.29 132.81 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.448 HG22 ' CD2' ' A' ' 83' ' ' TYR . 10.6 p -76.88 168.18 20.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.14 29.68 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 6.7 tmtm? -96.51 150.8 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 20.3 tp -99.58 129.84 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.511 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 76.3 t -104.19 81.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.9 -29.69 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.7 t -148.36 141.56 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.551 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.82 -21.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.3 -29.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 28.3 mt-10 -81.16 -29.84 34.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 83' ' ' TYR . 39.2 mt -51.39 164.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -137.62 155.4 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.23 110.01 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.69 43.8 6.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -128.11 166.51 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 72.4 m-85 -103.42 141.59 35.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 95.7 m-85 -144.68 131.3 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 81.0 t -83.8 129.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . . . -89.33 112.66 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 87' ' ' GLY . 24.6 t -101.88 137.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 86' ' ' VAL . . . -104.99 -159.49 23.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.7 mtp85 -45.03 -33.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.3 154.82 37.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.68 175.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.35 109.24 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -73.07 82.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -42.59 113.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -151.67 152.65 30.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.963 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CE2' HG22 ' A' ' 84' ' ' VAL . 88.2 m-85 -98.75 -37.05 9.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.74 -22.25 11.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -77.38 -34.28 54.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.97 -23.49 65.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD21 ' CE2' ' A' ' 82' ' ' PHE . 12.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -67.18 95.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -84.63 92.62 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 -154.73 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -95.68 36.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 p -91.39 146.01 24.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.39 -93.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.91 126.13 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -87.86 156.06 52.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -178.21 2.23 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mt -58.8 105.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -128.8 75.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 9.3 tp10 -69.02 138.22 89.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 53.9 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.23 128.45 47.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 11.0 m -100.87 102.39 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.6 pt -112.53 151.73 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 63.1 m-85 -99.79 140.67 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.1 mm? -113.41 155.15 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.435 HG21 ' CD1' ' A' ' 96' ' ' TYR . 71.2 mt -147.01 134.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 125.31 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -65.31 129.14 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 84.38 7.94 84.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -110.68 116.65 31.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.48 29.0 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.0 mp -121.65 -36.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -97.06 142.92 25.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.22 179.95 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -136.63 108.98 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.556 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 50.0 ttp85 -69.42 108.48 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.56 144.84 48.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.0 tp -107.31 139.47 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mt -120.73 119.76 29.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 150.36 68.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -58.28 -32.81 68.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.6 ptmm? -62.71 -29.09 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 5.3 m -97.4 -33.36 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.93 -44.17 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.7 p30 -58.63 -40.99 84.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -93.13 95.14 9.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 47.0 t-105 -51.81 -42.35 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 43' ' ' ASP . 4.8 t0 -55.46 -40.35 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -64.89 -32.69 74.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.52 -52.36 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.43 -35.98 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 31.3 tp60 -62.52 -27.14 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.6 mtp -93.99 -37.75 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.99 -37.29 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.6 m -62.88 -40.69 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -52.03 -30.5 25.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -96.54 -40.06 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mm -122.5 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -89.36 101.13 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.35 143.08 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -57.99 -28.15 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.9 p -74.35 -19.0 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.48 -111.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.49 178.57 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 61' ' ' HIS . 18.2 t -90.42 142.88 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.5 m-70 -123.74 -21.56 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -155.39 157.94 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.4 155.47 26.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.505 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -144.01 130.94 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.564 HG23 ' CD2' ' A' ' 83' ' ' TYR . 58.7 p -77.09 172.31 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 66' ' ' LEU . 6.9 mp -69.28 -16.14 63.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.13 -17.2 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.15 19.59 11.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -81.78 160.35 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tp -118.62 121.31 39.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.503 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 22.0 t -103.76 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.596 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 34.9 mt-10 -82.68 -19.41 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 84.4 p -143.28 179.54 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -81.99 26.5 3.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.84 -27.03 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.708 0.29 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 24.3 mt-10 -89.88 -8.48 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.405 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 71.3 mt -64.76 172.51 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -152.04 173.6 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -99.04 105.82 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.13 43.54 7.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -119.46 165.53 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.1 m-85 -105.67 141.86 36.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CD2' HG23 ' A' ' 65' ' ' THR . 70.3 m-85 -142.98 166.1 25.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 85' ' ' ALA . 32.8 t -121.84 139.95 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -90.78 109.12 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 64' ' ' TYR . 38.6 t -107.28 123.57 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.63 -136.75 3.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 19.4 mtp85 -83.79 40.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -134.68 179.78 6.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.6 mppt? -83.44 155.09 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 83.2 t80 -73.78 112.63 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 43.2 mttp -86.55 74.69 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 13.1 tptp -39.56 96.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.4 mt -121.6 154.82 60.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 20' ' ' ILE . 79.7 m-85 -102.72 -31.62 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.83 -18.49 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -85.49 -37.27 19.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.15 -27.15 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -59.98 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -96.24 100.18 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -37.95 148.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -146.14 128.26 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.13 126.07 1.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.84 64.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -86.37 -57.4 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -66.08 105.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 70.15 41.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t -110.62 133.1 53.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.67 152.78 32.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -87.97 152.17 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -94.62 146.97 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.02 -66.4 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -122.29 87.89 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -63.96 145.73 97.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.26 2.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -108.65 11.04 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 39.0 mt-30 -89.32 85.2 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.3 143.62 32.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.75 171.39 14.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.734 2.289 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -136.42 132.98 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 8.7 m -98.37 112.84 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 78' ' ' GLU . 22.0 pt -119.8 159.74 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.67 138.57 42.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -120.54 151.21 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 21' ' ' ALA . 52.3 mt -141.34 143.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -73.26 123.51 23.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.99 127.39 31.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.87 7.54 66.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -111.71 120.26 41.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 94' ' ' LEU . 4.5 mm? -125.04 16.17 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -111.79 -43.5 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.34 143.03 27.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -171.0 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.32 -177.53 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.46 122.89 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -76.21 113.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.55 141.65 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 4.6 tp -104.36 139.65 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.1 mt -121.33 118.69 29.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.08 49.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' CB ' ' HB3' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -44.19 -60.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -40.64 -28.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -93.02 -41.32 10.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD2' HD12 ' A' ' 77' ' ' LEU . 11.3 mt -45.65 -36.85 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.1 p30 -65.53 -39.35 91.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 36.4 mt-30 -90.67 120.2 31.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -70.88 -43.55 68.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.22 -45.82 79.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -56.82 -33.95 67.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.91 -59.09 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -22.13 2.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -76.76 -33.37 58.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 34.7 mtp -87.85 -31.98 19.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -65.67 -36.12 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -64.97 -48.0 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -49.31 -27.66 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -97.97 -37.49 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mm -118.59 95.09 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -86.08 107.0 17.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 55' ' ' LEU . 6.8 mp -82.98 166.23 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -52.52 -31.85 37.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.4 t -74.1 -30.54 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.33 -12.45 33.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.66 149.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.3 t -88.22 154.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 5.7 m-70 -129.43 -32.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -138.87 155.74 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 mm? -115.67 161.28 18.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 55.8 m-85 -153.11 142.14 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 83' ' ' TYR . 68.6 p -83.05 -179.46 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -86.31 -13.27 47.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -89.13 -17.07 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.09 31.36 3.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -110.93 162.43 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -123.58 144.06 49.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 73' ' ' SER . 40.9 t -107.64 136.18 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -115.63 4.22 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 t -172.36 -178.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.96 17.83 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.03 27.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 22.5 mt-10 -88.98 -28.94 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 39' ' ' LEU . 92.7 mt -46.06 127.58 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 9.1 tt0 -110.32 171.22 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.69 102.07 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.57 6.35 57.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.405 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 2.6 tp-100 -94.02 171.8 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD1' HD13 ' A' ' 100' ' ' LEU . 32.0 m-85 -111.96 133.98 53.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 65' ' ' THR . 85.2 m-85 -132.84 127.08 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 96' ' ' TYR . 39.1 t -83.1 134.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.3 126.47 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.81 128.94 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -154.44 23.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.542 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 17.8 mmm180 -54.88 -15.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.53 171.4 14.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 167.04 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 7.9 t80 -87.55 119.32 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -82.33 92.05 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -48.38 94.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.444 ' CD1' HD22 ' A' ' 25' ' ' LEU . 17.1 mt -130.28 150.74 77.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 104.23 1.28 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.8 m-85 -99.27 -36.28 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -16.12 15.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.26 -36.76 24.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.01 -22.97 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.566 HD13 ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -66.83 -60.34 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ASP . 16.8 m-85 -120.81 98.47 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' PHE . 2.3 t70 -37.31 154.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -108.08 -46.67 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.7 145.0 10.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -17.53 37.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 m -44.45 -51.48 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.2 p -83.51 -48.61 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 38.27 52.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t -97.82 -46.95 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.81 176.9 8.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -99.86 46.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m 58.25 43.71 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.03 -102.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 46.77 44.91 14.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -98.84 155.95 36.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.63 20.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.45 146.92 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -120.13 41.06 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -65.15 146.27 98.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 168.57 21.24 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -132.31 109.13 9.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.47 HG21 ' NE ' ' A' ' 31' ' ' ARG . 9.2 m -75.39 123.52 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG13 ' CD2' ' A' ' 19' ' ' LEU . 22.9 pt -129.71 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 96.3 m-85 -103.83 131.08 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -110.95 148.54 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 21' ' ' ALA . 64.6 mt -139.23 135.72 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' HG23 ' A' ' 20' ' ' ILE . . . -67.84 126.71 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -60.7 136.41 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.82 16.06 80.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -115.97 119.74 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 94' ' ' LEU . 3.3 mm? -125.01 23.81 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.436 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -115.85 -48.98 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -87.64 145.66 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -168.8 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.83 -174.94 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 p -137.06 110.1 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' NE ' HG21 ' A' ' 16' ' ' THR . 7.5 ttt85 -68.16 96.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -113.91 121.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 tp -87.76 137.32 32.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.5 mt -122.55 124.45 26.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.737 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.02 58.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -43.95 -41.81 5.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -76.96 -37.74 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.4 -21.08 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -77.83 -30.83 51.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -107.16 93.24 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -42.67 -45.88 4.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.01 -42.99 81.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -64.58 -37.31 87.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.02 -50.01 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.96 -42.58 94.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -47.42 -33.49 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.2 mtp -90.63 -39.83 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.96 -42.22 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.5 m -60.2 -40.38 89.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.77 -30.72 24.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.64 -38.45 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.5 mm -120.15 94.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -106.34 101.46 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 mp -74.33 154.4 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -61.95 -32.11 72.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.9 p -66.72 -35.3 79.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.83 -162.0 29.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 175.15 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 85' ' ' ALA . 48.2 t -88.52 143.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -122.33 -29.46 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -145.33 166.36 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mm? -119.06 160.12 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 65.4 m-85 -155.06 126.14 7.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.9 p -71.87 179.12 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.96 -16.53 59.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.06 -15.93 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.01 21.49 10.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -91.15 142.31 27.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.5 tp -98.87 132.01 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 73' ' ' SER . 92.2 t -112.43 99.92 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -92.31 7.16 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 5.4 t -151.81 158.93 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 29.93 2.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -22.17 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.48 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 17.5 mt-10 -83.93 -22.51 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.12 145.36 55.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -131.13 162.34 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 7.1 p-10 -80.96 106.68 13.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.81 37.32 5.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -122.31 174.81 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' HD23 ' A' ' 100' ' ' LEU . 56.6 m-85 -114.85 153.28 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 76.8 m-85 -158.56 131.05 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.8 t -88.62 135.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.417 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . . . -90.26 121.7 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.75 118.57 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.94 -133.97 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 9.1 mtp-105 -86.72 44.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.73 174.95 10.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.98 162.59 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 64' ' ' TYR . 86.6 t80 -82.08 102.2 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -66.69 79.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -42.55 99.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 25' ' ' LEU . 9.1 mt -136.07 151.36 73.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -105.44 -33.93 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -15.79 14.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.67 -36.71 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.88 -27.08 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD23 ' CD2' ' A' ' 82' ' ' PHE . 2.1 mt -59.46 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -108.96 113.66 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -39.19 138.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -86.91 21.15 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.7 143.67 5.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 107' ' ' SER . 53.3 Cg_endo -69.78 -26.25 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -51.3 88.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.3 m -124.25 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -46.81 154.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -158.61 107.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.83 -174.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -127.76 43.25 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -96.3 133.63 40.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.45 45.53 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.89 113.32 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 138.16 19.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.09 43.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLN . 6.3 mt -41.67 -63.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.0 pt20 -36.69 111.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -106.3 144.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 159.58 52.83 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.377 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 m -130.19 125.01 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -89.56 121.35 31.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 pt -127.74 147.54 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' C ' HD22 ' A' ' 19' ' ' LEU . 81.2 m-85 -95.98 135.04 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 mm? -113.94 138.19 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.2 mt -128.51 148.97 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -74.95 122.2 23.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -56.53 114.69 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.26 -3.29 58.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.11 110.31 22.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 94' ' ' LEU . 3.3 mm? -114.24 19.31 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.54 -46.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.6 m-80 -91.11 143.18 28.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.92 -175.92 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -130.02 105.48 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -55.46 96.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 tp -117.43 137.31 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 34' ' ' ILE . 6.2 tp -107.77 149.33 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 ' N ' ' HG ' ' A' ' 33' ' ' LEU . 49.3 mt -130.57 124.38 20.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.728 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -36.19 -54.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -43.99 -48.94 8.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.2 m -71.18 -41.08 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.2 mt -48.6 -23.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.62 -37.49 73.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.04 124.9 48.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 35.9 t-105 -71.29 -44.21 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -31.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -72.98 -27.03 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.55 -50.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' CD1' HD11 ' A' ' 63' ' ' LEU . 2.3 mm? -56.87 -37.82 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 17.0 tp60 -55.53 -33.04 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.5 mtp -93.31 -37.53 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.14 -36.49 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.0 m -63.53 -41.23 98.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.23 -37.45 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.1 mptt -89.22 -45.3 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 37.7 mm -113.2 99.96 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -98.89 102.43 14.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 mt -71.92 144.58 48.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.44 -20.12 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -86.29 -8.38 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.18 -163.9 21.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.75 167.07 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 t -79.34 149.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -125.2 -30.9 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' VAL . 36.6 mtm180 -147.19 178.46 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mp -139.54 158.8 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 28.0 m-85 -148.88 133.75 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -68.32 173.48 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -71.88 -10.67 60.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -93.39 -16.34 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 -5.48 24.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -60.55 160.35 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.461 HD23 ' CG ' ' A' ' 72' ' ' GLU . 7.1 tt -118.65 137.35 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 73' ' ' SER . 21.4 t -119.4 106.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 32.9 mt-10 -87.39 -21.69 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 85.1 p -141.37 179.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.72 23.5 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.22 -22.92 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 12.8 mt-10 -96.71 9.81 40.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.29 -177.6 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.581 ' N ' ' HH ' ' A' ' 83' ' ' TYR . 20.9 tp10 -160.05 156.51 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -83.13 113.01 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.81 35.63 15.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -120.75 174.17 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' CE2' HD22 ' A' ' 100' ' ' LEU . 19.2 m-85 -112.2 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.581 ' HH ' ' N ' ' A' ' 78' ' ' GLU . 97.4 m-85 -147.78 129.32 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.1 t -81.82 137.82 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.47 109.01 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' ARG . 74.2 t -105.32 127.34 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.55 -136.64 5.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 32.8 mtp180 -86.75 39.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.78 166.75 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -64.19 162.74 13.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 93' ' ' LYS . 8.6 t80 -95.86 114.94 26.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -74.53 102.03 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 91' ' ' PHE . 5.9 tmtt? -56.93 91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' CB ' HD21 ' A' ' 25' ' ' LEU . 75.6 mt -129.19 151.51 77.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.92 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.43 -33.79 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -61.16 -14.13 38.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -84.52 -29.23 26.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.96 -18.93 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.1 mt -75.3 -57.87 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -147.42 122.22 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -81.8 146.6 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -104.89 -35.66 7.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.69 120.8 1.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 92.56 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 p -99.82 125.8 45.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -123.85 110.42 14.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -106.15 156.76 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -118.17 -55.23 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.89 -155.19 26.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -105.41 -46.11 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -113.69 152.54 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.42 -55.51 6.8 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 56.86 50.85 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -81.4 148.82 63.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.37 27.82 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mp -69.49 173.29 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -109.0 86.93 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.51 148.29 43.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.22 19.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.13 144.88 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -112.51 109.2 18.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 ' CD1' HD12 ' A' ' 34' ' ' ILE . 22.1 pt -119.98 153.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.539 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 22.2 m-85 -100.85 137.39 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.9 mm? -112.68 148.2 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 mt -142.02 142.0 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -73.65 118.88 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.2 p-10 -57.46 118.3 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.04 6.76 55.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 94' ' ' LEU . 4.2 mm? -113.83 8.57 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.94 -37.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.33 139.43 24.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -169.55 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.28 177.1 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -131.23 104.83 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -62.46 99.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 tp -110.97 137.05 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 tp -100.92 141.67 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 17' ' ' ILE . 2.1 mt -126.98 119.43 22.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.45 57.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -46.41 -43.57 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.7 pttm -52.77 -32.35 43.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.42 ' N ' ' HG3' ' A' ' 37' ' ' LYS . 55.1 m -80.4 -40.89 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -35.21 26.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -56.58 -28.7 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -114.28 143.0 45.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 31.8 t-105 -90.97 -27.89 18.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.51 -28.69 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -74.09 -21.08 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.17 -41.58 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.28 -38.69 91.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 19.7 tp60 -56.9 -32.26 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.3 mtp -91.01 -26.55 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 -40.59 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -61.26 -40.01 92.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -47.47 -31.47 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -96.57 -46.08 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 34.0 mm -108.87 95.45 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -95.53 109.09 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.94 135.89 34.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -53.66 -20.84 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -26.64 35.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.22 -138.42 6.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.36 178.94 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 t -82.88 140.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 35.0 m-70 -121.06 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -136.92 176.82 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -133.0 141.04 48.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.527 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -140.6 129.33 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.9 p -71.66 -174.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.08 -9.38 59.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -95.26 -21.08 18.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.56 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.14 15.04 12.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -81.76 160.37 23.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.53 133.17 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.597 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 4.0 t -112.25 84.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.87 -28.27 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.488 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 51.5 p -142.01 160.55 39.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.99 0.17 12.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.77 -15.6 62.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 3.6 mt-10 -102.38 5.09 39.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.09 173.92 12.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -148.98 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -86.04 106.5 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 27.2 7.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -114.83 168.96 9.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.539 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 6.3 m-85 -114.16 144.33 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -143.23 138.97 30.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.15 140.64 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.45 109.02 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.6 t -105.83 125.62 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.19 -140.92 2.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 28.9 mtm105 -85.93 39.4 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.42 ' CG ' ' HD3' ' A' ' 90' ' ' LYS . 8.3 t0 -140.93 158.12 44.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HD3' ' CG ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -45.48 161.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 2.3 t80 -99.04 121.19 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -86.94 96.27 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -62.72 88.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.498 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 11.8 mt -116.26 153.4 48.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.222 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 65.3 m-85 -104.23 -32.78 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.81 -11.15 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -90.23 -33.58 16.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.25 -19.42 62.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 82' ' ' PHE . 2.4 mt -65.94 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -113.37 105.38 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -61.3 170.93 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.7 m -105.62 -53.45 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.95 83.68 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -3.01 11.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t 42.78 48.05 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.7 p -68.68 -43.53 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -164.91 118.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -54.5 164.89 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 157.28 27.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -43.81 106.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -81.39 -51.77 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.56 -79.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -69.63 155.28 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 143.56 74.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.37 27.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -92.11 173.43 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' GLU . 27.9 pt20 38.24 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' GLN . 1.9 mp0 -35.92 150.77 0.1 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.458 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.71 171.84 13.67 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' ILE . 0.8 OUTLIER -121.25 129.84 53.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -104.03 98.02 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' CD1' HD12 ' A' ' 34' ' ' ILE . 23.4 pt -115.02 151.34 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 31' ' ' ARG . 39.7 m-85 -99.06 140.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -112.89 153.07 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 21' ' ' ALA . 67.3 mt -142.6 137.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' HG23 ' A' ' 20' ' ' ILE . . . -70.12 107.53 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' CE ' ' A' ' 92' ' ' LYS . 23.1 t30 -49.44 121.05 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -8.03 57.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' C ' HD22 ' A' ' 25' ' ' LEU . 4.3 t70 -102.42 114.46 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 99' ' ' LEU . 2.9 mm? -113.92 16.7 18.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.25 -42.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -93.51 141.45 23.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -168.2 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.9 -175.89 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -140.18 105.16 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 42.2 ttp180 -61.87 106.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.34 122.96 39.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 14' ' ' PRO . 6.9 tp -83.04 145.31 29.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 17' ' ' ILE . 13.1 mt -130.37 118.73 18.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.79 125.74 12.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' LEU . 2.3 tpp85 -35.51 -57.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -35.7 -43.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 54.6 m -75.83 -40.01 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' ARG . 4.3 mp -48.76 -25.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.05 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -111.67 106.5 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 14.4 t-105 -54.83 -39.66 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.29 -42.85 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -66.39 -38.19 86.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -58.23 -58.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.3 mt -49.19 -42.33 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -48.17 -27.02 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.1 mtm -95.75 -29.98 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.95 -31.77 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -74.98 -30.44 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.45 -33.05 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -98.31 -39.6 8.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.98 94.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.6 m -95.28 103.71 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.76 146.94 54.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 56' ' ' ARG . 18.6 ttp-105 -59.89 -38.15 81.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.4 m -69.69 -35.24 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.32 -137.36 4.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.86 -175.41 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -93.36 147.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 5.0 m-70 -127.78 -30.59 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -141.44 163.89 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 4.3 mm? -121.13 148.45 44.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . 63.3 m-85 -149.26 134.5 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.494 HG21 ' CE1' ' A' ' 83' ' ' TYR . 10.1 p -75.66 -174.67 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 97' ' ' GLY . 1.1 mt -77.55 -9.28 58.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -95.54 -24.25 16.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 12.66 11.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 160.4 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tt -120.06 118.78 31.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.545 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 14.4 t -104.77 81.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -57.52 -25.16 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.1 t -152.9 147.52 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.34 -20.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 14.2 mt-10 -103.97 -13.55 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.7 151.38 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 81' ' ' GLN . 6.0 tt0 -111.98 167.72 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 11.0 p-10 -94.46 103.67 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.53 24.84 34.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 24.5 tp60 -99.96 149.9 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 100' ' ' LEU . 35.7 m-85 -90.73 117.8 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.494 ' CE1' HG21 ' A' ' 65' ' ' THR . 84.9 m-85 -114.13 176.2 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' TYR . 48.9 t -131.95 139.91 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.4 114.23 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.52 113.92 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.63 -141.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.483 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 29.2 mtt180 -83.41 40.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -134.77 171.23 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.11 146.64 45.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 69.0 t80 -64.61 106.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.491 ' CE ' ' ND2' ' A' ' 22' ' ' ASN . 38.4 mtmt -69.21 80.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -42.79 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 9.0 mt -141.45 151.43 60.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.552 0.691 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.02 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 90.2 m-85 -102.95 -32.55 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HD11 ' A' ' 66' ' ' LEU . . . -53.87 -25.1 29.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 12.0 pt-20 -78.69 -41.45 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 13.9 mt -56.4 -28.11 58.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -65.78 -64.01 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -127.26 120.43 28.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -82.37 160.32 22.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -71.92 -46.34 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.4 -103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 179.19 3.85 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.6 t -48.7 -57.64 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.4 t -66.99 -49.82 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t 37.82 40.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -60.35 121.74 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.62 72.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -93.17 40.51 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -116.23 110.19 18.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -141.74 3.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -135.3 112.2 10.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -99.69 144.34 28.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.05 22.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.71 132.01 51.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 58.0 mt-30 -134.0 70.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.46 148.01 85.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 54.3 Cg_endo -69.66 166.45 27.44 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' C ' HD12 ' A' ' 33' ' ' LEU . 36.3 m -124.59 138.47 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.403 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.5 m -105.78 109.15 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 34' ' ' ILE . 18.4 pt -120.81 154.3 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.549 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 9.6 m-85 -105.14 130.84 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mm? -105.83 157.63 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.0 mt -143.97 140.51 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.41 125.33 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.78 127.19 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.02 89.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.51 115.83 31.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 94' ' ' LEU . 3.8 mm? -114.96 23.0 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -118.54 -42.85 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.73 137.51 33.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.57 178.6 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -136.2 109.59 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -67.72 104.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -122.12 137.08 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 15' ' ' CYS . 5.0 tp -96.89 139.47 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' CD1' HD11 ' A' ' 17' ' ' ILE . 18.0 mt -123.47 114.78 28.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 145.46 56.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' NH1' ' HG2' ' A' ' 12' ' ' GLN . 21.8 tpp85 -47.04 -53.86 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.5 ptpp? -45.4 -24.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.8 m -99.27 -41.0 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.1 -43.14 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 2.2 p30 -59.7 -40.74 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.74 95.89 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.477 ' CE3' ' N ' ' A' ' 74' ' ' GLY . 19.2 t-105 -58.43 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -71.73 -21.31 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -85.3 -33.16 22.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.23 -40.24 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.26 -39.62 82.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -59.34 -30.28 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 41.0 mtp -91.25 -36.74 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.26 -37.62 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.0 m -64.47 -33.8 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -56.57 -25.31 51.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -102.75 -40.93 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.22 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -82.68 100.41 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.22 135.21 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -47.44 -40.27 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -67.89 -30.93 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.01 -121.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.24 175.47 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 61' ' ' HIS . 14.0 p -90.96 141.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.496 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 2.7 m-70 -119.8 -18.74 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -146.98 168.45 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 156.77 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 64.4 m-85 -150.57 131.22 13.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.2 p -74.92 176.25 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 66' ' ' LEU . 7.7 mp -73.05 -12.49 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.59 -11.9 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.42 -11.78 30.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.16 150.55 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.11 140.24 48.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 73' ' ' SER . 26.0 t -112.04 97.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.75 -8.36 53.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 14.8 t -163.23 146.02 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -51.67 -15.34 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.47 -24.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 11.6 mt-10 -92.07 -33.15 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 mt -41.72 133.82 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -106.09 159.35 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -86.3 91.63 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.97 2.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -119.65 174.0 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 61.5 m-85 -111.24 144.65 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -148.1 159.96 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 85' ' ' ALA . 64.5 t -115.0 137.89 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -90.81 109.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.521 HG23 ' CD1' ' A' ' 64' ' ' TYR . 24.9 t -105.11 128.41 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -90.35 -159.67 35.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 10.8 mmm180 -42.03 -25.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.9 OUTLIER -75.53 173.54 10.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -178.3 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 69.6 t80 -86.77 113.54 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' LYS . 32.8 mttp -89.86 79.55 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . 12.5 tttp -37.6 115.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 22.4 mt -149.61 154.83 38.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.7 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.19 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 61.5 m-85 -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.64 -28.95 7.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 13.9 pt-20 -75.8 -41.81 51.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 13.1 mt -58.45 -27.45 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 4.1 mt -70.2 -56.47 6.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 2.3 p90 -137.12 115.61 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.02 127.98 36.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 104' ' ' GLY . 3.9 t -126.42 -38.12 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -34.68 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.79 18.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.5 p -79.22 159.11 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.7 p -170.78 152.04 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -133.22 146.57 51.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p 43.72 42.41 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.88 -48.7 3.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.5 m 46.52 42.69 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -99.44 107.45 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.01 -81.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -112.01 143.26 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 3.7 tppp? -84.01 137.39 40.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.544 0.688 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 54.2 Cg_endo -69.72 -169.58 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.08 81.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' OE1' ' NZ ' ' A' ' 9' ' ' LYS . 9.4 tt0 -104.84 100.93 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -162.79 148.64 10.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 175.24 8.34 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -152.42 110.66 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 m -74.48 120.72 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.1 pt -127.15 160.62 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 43.7 m-85 -110.45 138.44 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.4 mm? -114.07 151.05 33.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.464 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 84.1 mt -143.45 142.44 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -71.42 125.63 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -57.62 135.77 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.14 23.08 77.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -117.56 118.55 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -124.49 24.02 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 mm -116.08 -46.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.36 146.04 35.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -96.56 -179.09 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -132.46 112.4 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -66.76 91.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 17' ' ' ILE . 9.8 tp -114.24 123.61 49.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -101.66 150.99 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 mt -119.86 125.74 27.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HG3' ' CG ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -34.44 -58.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -41.58 -49.39 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -71.17 -42.62 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -46.15 -23.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -77.49 -35.75 53.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -98.63 111.27 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.7 t-105 -66.44 -35.5 80.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -41.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.01 -32.95 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.72 -41.78 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.0 mt -69.5 -33.93 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -62.37 -35.09 78.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 49' ' ' VAL . 5.8 ptm -89.37 -38.85 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 48' ' ' MET . 19.4 t -53.98 -37.78 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.5 m -66.81 -36.49 82.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -51.99 -35.56 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -90.65 -39.94 12.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 32.1 mm -116.6 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -88.84 100.09 12.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.22 141.0 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -54.34 -39.9 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 m -67.25 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.37 -110.44 0.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.79 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 61' ' ' HIS . 42.5 t -91.14 144.0 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.2 m170 -123.7 -19.84 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -146.73 164.17 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.13 146.42 45.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.449 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 45.7 m-85 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 p -73.64 168.88 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 97' ' ' GLY . 6.0 mt -62.01 -20.1 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.34 -24.17 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.66 -2.26 24.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.91 152.54 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 15.9 tp -108.87 135.39 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 21.9 t -106.09 83.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -54.17 -26.8 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ALA . 78.9 p -150.22 140.31 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.69 -20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.37 -23.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.731 0.3 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 25.1 mt-10 -90.48 -28.59 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' GLY . 63.1 mt -46.64 174.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.04 158.64 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 5.6 p-10 -80.27 108.68 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 35.97 6.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -122.19 171.63 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 14.6 m-85 -114.33 154.89 27.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.414 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 97.1 m-85 -157.82 129.57 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.9 t -84.85 137.1 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.2 121.12 31.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.4 t -119.18 124.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.18 -145.51 17.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -56.54 -25.02 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -78.45 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -56.38 168.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 13.6 t80 -93.07 121.94 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -93.98 87.79 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.37 92.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.5 mt -120.82 154.82 57.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 104.98 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 83.7 m-85 -107.53 -29.01 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -19.51 32.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.4 -32.31 32.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.8 mt -72.18 -23.16 61.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.1 mt -65.48 -63.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.4 104.74 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -49.58 172.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 m -91.41 99.18 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.19 -95.38 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.11 25.3 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.333 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -72.51 107.89 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.9 t -55.16 106.49 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -156.73 125.54 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -103.49 85.34 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.14 73.19 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -68.0 105.61 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -167.11 147.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.85 102.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -102.85 41.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -103.13 144.84 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 172.9 11.75 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.742 2.295 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mp -50.76 125.12 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -108.49 83.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.19 155.93 71.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.31 9.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.97 137.53 39.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -100.27 114.99 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.84 146.04 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 19.8 m-85 -95.79 133.41 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.578 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -108.82 145.39 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -133.64 131.88 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.17 117.97 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -50.61 132.72 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 78.66 11.14 85.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 120.07 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 mt -125.22 -4.67 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -94.95 -28.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.08 139.61 20.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -175.42 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.25 -179.14 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -134.75 102.68 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.549 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 ttp180 -64.88 99.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 tp -118.22 129.85 55.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 tp -87.93 147.59 24.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -134.22 121.6 15.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 127.17 14.19 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . 2.9 tmt_? -36.46 -58.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -35.16 -41.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -77.92 -42.35 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 4.0 mp -45.7 -24.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -100.5 121.28 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 8.8 t-105 -71.66 -32.44 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.76 -36.29 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.43 -41.19 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.68 -56.84 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.7 mt -52.19 -41.01 62.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -48.63 -29.49 4.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.2 mtm -94.85 -31.3 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.38 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -67.25 -37.18 83.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.61 -29.95 64.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -95.92 -40.19 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.79 88.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -86.05 100.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.31 140.78 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -53.7 -40.87 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 p -66.41 -32.18 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.03 -132.87 3.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.63 178.08 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.6 t -83.67 148.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 88' ' ' ARG . 12.1 m-70 -127.42 -31.7 2.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -149.24 166.58 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -119.66 148.79 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -142.73 136.67 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.3 p -82.32 165.29 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 66' ' ' LEU . 6.4 mp -58.12 -23.65 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -83.34 -12.19 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.01 55.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -71.54 152.96 42.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.9 tp -103.88 144.25 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.558 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 45.0 t -117.41 81.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -53.76 -20.8 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.545 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 7.4 t -161.3 143.64 12.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.505 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -39.24 -24.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -42.3 -31.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 23.6 mt-10 -87.19 -29.29 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 83' ' ' TYR . 86.8 mt -55.47 165.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' CB ' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -132.58 160.71 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 22.4 p-10 -82.46 97.57 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.11 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.458 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 8.3 mt-30 -117.83 171.53 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 100' ' ' LEU . 56.4 m-85 -105.72 151.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 77' ' ' LEU . 89.0 m-85 -156.83 137.35 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.39 139.67 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.62 109.92 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.03 120.48 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -97.63 -159.78 30.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 2.6 ptm180 -37.28 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' GLY . 16.4 p30 -75.61 149.62 38.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -69.14 157.92 35.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -67.41 150.54 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -120.79 107.9 13.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 99.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 23.6 mt -136.04 147.51 61.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 103.69 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 51.4 m-85 -103.02 -30.85 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -53.27 -17.61 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.98 -30.35 26.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.11 -17.12 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 82' ' ' PHE . 10.8 mt -68.43 -58.66 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' ASP . 89.8 m-85 -157.93 146.98 19.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' PHE . 8.0 t70 -34.44 121.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -120.35 103.93 9.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -131.86 -96.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 81.31 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.1 t -48.34 -50.0 32.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 p -55.81 -52.95 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.17 122.24 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -152.57 138.33 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.49 106.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -103.0 137.81 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -148.24 124.28 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.44 163.97 27.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -81.74 113.89 20.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.07 148.63 95.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 110.927 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -169.83 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.67 88.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.01 88.26 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.53 143.9 45.09 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.42 21.62 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' C ' HD13 ' A' ' 33' ' ' LEU . 57.6 m -124.56 124.52 42.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -89.9 114.43 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.0 pt -119.8 153.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -105.23 133.31 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.594 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -109.84 159.82 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 21' ' ' ALA . 73.3 mt -151.81 134.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -65.66 128.69 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.5 115.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.09 20.4 33.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' C ' HD21 ' A' ' 25' ' ' LEU . 10.2 t70 -119.94 113.49 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 25' ' ' LEU . 2.5 mm? -116.37 18.17 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.08 -44.06 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.95 143.37 26.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.04 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 -177.73 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.0 m -133.15 101.57 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.94 97.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.96 128.67 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 15' ' ' CYS . 5.0 tp -97.27 141.05 30.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' HB ' ' CB ' ' A' ' 39' ' ' LEU . 2.1 mt -124.7 135.41 26.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HD2' ' CG2' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.75 153.72 68.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.394 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 4.8 tpt180 -69.3 1.12 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -96.02 -38.53 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 44' ' ' HIS . 2.7 m -102.61 -46.64 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -47.04 -42.99 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 36' ' ' ARG . 68.5 m-20 -51.01 -35.73 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -84.38 179.81 7.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 9.8 t-105 -114.88 -61.53 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.33 -31.13 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.5 m170 -80.14 -23.39 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.2 t -80.47 -44.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 42' ' ' TRP . 1.9 mm? -61.82 -26.62 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.9 tp60 -79.49 -19.44 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.7 mtp -96.25 -41.07 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 46' ' ' LEU . 7.6 p -56.21 -47.79 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.3 m -49.99 -42.67 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -48.67 -27.37 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -103.7 -40.66 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.75 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -91.22 109.2 20.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.7 mt -83.4 166.29 18.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.11 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.5 t -65.77 -27.75 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.93 -15.66 16.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.4 162.18 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 61' ' ' HIS . 8.6 p -95.88 146.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.489 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 4.9 m-70 -117.17 -26.49 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -146.43 155.09 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 46' ' ' LEU . 2.2 mm? -109.62 157.49 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 58.8 m-85 -152.44 122.08 6.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.454 HG22 ' CE2' ' A' ' 83' ' ' TYR . 52.7 p -69.71 172.04 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.1 -23.78 64.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.55 -13.41 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.06 6.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -103.06 140.18 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.12 136.32 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.598 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 38.6 t -107.89 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.26 -18.74 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 32.4 p -154.65 151.5 28.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.46 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -54.8 -12.09 3.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.463 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.88 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 21.9 mt-10 -93.56 -18.64 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.41 106.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -93.12 160.72 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -85.3 102.57 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.19 31.82 4.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -119.79 169.04 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 41.7 m-85 -112.12 141.0 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.454 ' CE2' HG22 ' A' ' 65' ' ' THR . 89.4 m-85 -143.67 152.86 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 t -112.01 137.39 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.91 113.47 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.77 134.24 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.85 -131.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 12.7 mtm105 -98.48 46.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -150.75 172.52 15.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -51.2 -176.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.5 t80 -110.45 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -73.59 81.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 18.9 tttm -55.17 106.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 96' ' ' TYR . 10.4 mt -131.2 153.67 81.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 106.09 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 94' ' ' LEU . 77.1 m-85 -110.1 -29.3 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -43.27 -34.29 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -76.08 -38.72 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.98 -27.6 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt -60.01 -68.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.38 110.13 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 104' ' ' GLY . 1.2 p-10 -96.59 155.29 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' ASP . 0.9 OUTLIER 37.71 27.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ASP . . . -107.65 -91.18 2.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.14 30.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.3 p -78.44 110.49 13.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -71.0 133.34 46.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -105.68 115.69 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -49.69 -39.11 35.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.05 -100.24 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -150.3 166.09 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.825 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -171.31 117.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.49 173.55 45.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 45.41 40.38 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -93.81 138.41 22.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.545 0.688 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.1 121.91 15.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.66 55.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -51.29 144.55 15.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 171.24 14.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.3 t -127.97 134.78 49.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -101.98 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.24 150.45 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 9.4 m-85 -99.34 134.25 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -109.17 154.14 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -143.41 145.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 114.48 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.49 133.9 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 -3.58 84.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -102.33 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 94' ' ' LEU . 1.3 mm? -120.42 24.9 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 2.6 mp -118.49 -37.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -96.13 140.43 22.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.96 -175.24 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -141.3 110.23 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 20.2 ttp-105 -67.22 101.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.3 tp -115.23 140.52 49.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 tp -103.09 141.08 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.7 mt -130.48 118.9 18.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.153 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.8 125.83 12.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -31.72 -42.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -47.74 -50.86 24.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 42.0 m -68.95 -40.31 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 4.7 mp -46.76 -27.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.63 -38.27 90.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -105.54 98.21 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -49.44 -47.18 48.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -51.78 -45.28 63.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -64.29 -23.56 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.41 -42.96 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -69.22 -30.48 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 20.2 tp60 -62.08 -31.58 72.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.414 ' HG2' ' N ' ' A' ' 49' ' ' VAL . 5.1 ptm -93.37 -36.62 12.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 48' ' ' MET . 42.5 t -60.27 -32.05 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.6 m -69.2 -31.31 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.16 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -96.28 -39.87 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -120.01 87.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.4 m -88.03 108.32 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 143.27 42.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -59.45 -21.4 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.2 p -79.04 -31.05 44.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.74 -111.43 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.54 -179.5 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.84 143.12 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.9 m170 -126.58 -28.88 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -143.04 164.39 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.72 157.71 26.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.489 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 53.1 m-85 -150.06 124.81 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.557 HG22 ' CE2' ' A' ' 83' ' ' TYR . 44.1 p -75.99 167.95 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.6 mp -65.86 -18.99 65.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -82.21 -16.98 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.64 13.86 28.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.9 tptm -84.45 152.62 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 8.8 tp -106.9 135.51 48.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 1.9 t -115.71 101.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.15 -2.99 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 m -158.49 172.35 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.07 26.1 3.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.05 -17.26 17.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 16.4 mt-10 -107.27 16.98 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.75 -179.03 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -154.07 158.73 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -93.56 107.93 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.3 42.03 5.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -124.36 173.17 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 51.1 m-85 -113.9 132.82 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' HG22 ' A' ' 65' ' ' THR . 57.1 m-85 -130.32 173.51 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -129.09 135.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.96 115.87 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.99 119.46 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.83 -129.32 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -85.46 28.15 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.52 163.85 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.09 144.44 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 88.8 t80 -63.99 120.83 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -93.18 76.16 4.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 39.7 tptt -40.9 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 38.5 mt -136.24 154.98 77.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 105.42 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 44.2 m-85 -100.56 -31.65 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -46.28 -29.5 3.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 15.0 pt-20 -76.6 -41.52 45.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 11.2 mt -60.47 -26.82 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.39 -60.27 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -125.0 122.77 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -45.64 145.21 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -124.1 30.27 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.91 -81.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 174.28 9.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.1 p 39.33 35.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.8 t -116.34 44.31 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -133.45 99.58 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 t -159.27 153.48 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.08 45.85 3.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -77.31 116.69 18.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -87.48 174.28 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.87 148.8 20.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.79 147.12 43.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.937 0.399 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -96.36 142.46 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.81 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 mt -78.72 138.66 38.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.459 ' CB ' ' HG2' ' A' ' 36' ' ' ARG . 5.6 mp0 -127.37 96.61 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.7 tt0 -68.31 143.3 95.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 54.1 Cg_endo -69.7 175.55 7.91 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' N ' HD13 ' A' ' 33' ' ' LEU . 3.9 t -137.49 139.61 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -103.69 115.5 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.0 pt -124.48 150.78 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 14.5 m-85 -95.03 147.91 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -124.68 131.17 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 29' ' ' ALA . 79.7 mt -123.33 140.8 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CA ' HG23 ' A' ' 53' ' ' ILE . . . -68.09 131.09 44.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 30.6 t-20 -57.17 133.43 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 66.7 28.87 73.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -119.32 128.21 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 94' ' ' LEU . 5.5 mt -134.97 4.75 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -97.79 -33.47 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.98 147.69 34.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -166.45 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . . . -94.35 -175.67 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -135.0 102.38 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -67.49 102.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.64 123.41 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 15' ' ' CYS . 6.8 tp -82.8 148.04 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.8 mt -124.94 126.37 25.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HA ' ' CD1' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -46.61 -29.94 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.41 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 m -83.78 -32.81 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 18.1 mt -48.51 -33.94 10.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.68 -32.44 74.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -106.64 111.4 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 31.9 t-105 -61.26 -45.09 95.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.88 -48.21 70.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -55.6 -38.96 70.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 2.8 mm? -60.98 -39.54 90.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -57.74 -32.48 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.7 mtp -88.61 -24.56 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 t -75.5 -36.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -65.85 -39.86 91.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -52.87 -32.36 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -92.23 -45.07 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 HG23 ' CA ' ' A' ' 21' ' ' ALA . 45.1 mm -114.38 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -90.67 100.78 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.36 157.58 36.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -68.81 -34.52 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 p -68.45 -35.56 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.96 -150.5 22.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.29 164.45 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 61' ' ' HIS . 11.8 t -86.82 146.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.0 m-70 -121.57 -32.68 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -142.52 -176.28 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD13 ' CH2' ' A' ' 42' ' ' TRP . 2.7 mp -139.08 159.45 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 37.3 m-85 -148.32 130.8 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 69' ' ' LYS . 40.5 p -66.23 176.5 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 97' ' ' GLY . 1.6 mt -71.71 -14.5 62.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -94.51 -19.06 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.461 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 114.05 5.41 21.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 65' ' ' THR . 27.6 tptt -62.72 159.58 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD1' ' CD ' ' A' ' 72' ' ' GLU . 2.9 tm? -114.92 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 26.2 t -123.46 119.18 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' CD ' ' CD1' ' A' ' 70' ' ' LEU . 10.7 mp0 -105.19 8.86 34.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.566 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.5 t -167.69 157.95 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -64.36 -2.24 6.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -28.29 68.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.489 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 15.5 mt-10 -93.06 11.98 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 90.3 mt -97.4 136.44 37.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -120.8 166.61 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 13.3 p-10 -86.58 98.63 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.76 24.66 6.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.99 169.41 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 100' ' ' LEU . 58.8 m-85 -114.07 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -150.5 127.25 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 85' ' ' ALA . 98.0 t -80.85 138.0 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 84' ' ' VAL . . . -89.33 107.92 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 87' ' ' GLY . 44.7 t -97.44 136.26 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.447 ' N ' HG11 ' A' ' 86' ' ' VAL . . . -105.53 -122.83 5.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 65.0 mtt180 -91.63 42.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -146.69 166.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.11 158.2 29.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.461 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 70.2 t80 -74.33 117.52 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' LEU . 21.8 mtpt -78.7 95.27 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.417 ' HE2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -47.57 88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 92' ' ' LYS . 13.8 mt -134.07 152.13 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 103.93 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.256 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.411 ' CB ' HD22 ' A' ' 66' ' ' LEU . 85.2 m-85 -97.95 -37.28 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.465 ' N ' HD11 ' A' ' 66' ' ' LEU . . . -55.39 -18.8 15.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.13 -37.36 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.75 -21.05 66.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 82' ' ' PHE . 1.8 mt -69.09 -63.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -130.43 124.88 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.0 132.53 55.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 p -56.58 -49.58 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -45.66 104.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 54.1 Cg_endo -69.78 130.89 20.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.381 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t 63.63 41.37 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 m -116.92 114.02 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -121.41 150.64 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -49.69 168.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.89 44.21 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p -101.28 83.53 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -123.31 -175.66 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.43 47.95 3.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -120.79 153.88 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -69.0 140.96 91.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.539 0.685 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLN . 10.8 mt -123.83 177.78 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 23.7 pt20 37.18 43.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 19.9 tp10 -59.58 138.68 89.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 54.0 Cg_endo -69.76 174.99 8.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.3 t -139.14 139.4 37.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.451 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 14.3 m -106.36 117.34 33.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 pt -127.5 156.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 89.2 m-85 -103.01 131.06 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.2 mm? -108.45 153.0 23.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.1 mt -142.68 144.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . . . -69.4 121.5 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' CG ' HG22 ' A' ' 86' ' ' VAL . 39.3 t30 -56.89 130.8 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HG3' ' A' ' 92' ' ' LYS . . . 76.99 7.99 86.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 1.4 t70 -114.28 114.0 25.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD22 ' CB ' ' A' ' 94' ' ' LEU . 2.9 mm? -121.12 24.42 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.16 -34.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -101.64 153.83 37.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.93 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.45 177.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -130.33 104.28 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.56 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 13.5 ttp180 -67.16 98.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.09 132.81 55.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.5 tp -94.87 138.51 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.0 mt -120.42 118.9 30.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.75 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 35' ' ' PRO . 2.3 tmt_? -32.02 -41.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.73 -50.45 44.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 99.1 m -69.42 -40.21 77.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -45.47 -29.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.63 -35.63 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' HIS . 1.6 mp0 -100.81 75.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 30.6 t-105 -35.85 -45.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -55.62 -45.16 77.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLN . 20.6 m170 -61.31 -29.21 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -69.03 -46.81 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 3.1 mm? -63.89 -28.3 69.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 37.9 tp60 -74.06 -22.64 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.9 mtp -95.56 -49.25 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 60' ' ' VAL . 1.5 p -48.22 -36.68 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 84.3 m -59.3 -44.57 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.44 -28.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.6 mm -112.29 96.92 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -99.35 115.86 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -91.66 141.73 28.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -52.78 -36.51 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -71.01 -29.91 65.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.04 177.18 16.89 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.61 164.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.485 ' CG1' ' CG1' ' A' ' 49' ' ' VAL . 8.2 p -82.67 148.86 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.8 m-70 -123.62 -20.55 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -142.98 169.72 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -125.42 155.58 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' A' ' 91' ' ' PHE . 36.7 m-85 -144.72 167.72 21.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.9 p -117.19 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 66' ' ' LEU . 8.5 mp -77.08 -18.28 58.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -86.83 -14.06 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.78 25.69 8.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 20.5 tptt -100.34 147.8 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 4.1 tp -103.74 126.82 51.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 73' ' ' SER . 22.2 t -98.26 112.14 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.83 -15.43 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 87.5 p -141.64 168.76 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 28.81 2.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.57 -18.03 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 18.2 mt-10 -94.91 21.76 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.35 176.39 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.37 175.36 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -105.78 107.02 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.68 20.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -108.78 169.03 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 100' ' ' LEU . 60.6 m-85 -114.84 149.34 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 15.8 m-85 -145.55 -179.32 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.8 t -136.87 132.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.6 112.08 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG22 ' CG ' ' A' ' 22' ' ' ASN . 45.9 t -103.97 131.61 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.26 -142.1 12.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.21 -10.44 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -91.03 171.7 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 170.91 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.504 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 13.8 t80 -82.42 118.23 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.475 ' HG3' ' CA ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -85.27 96.59 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -70.38 93.36 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.6 mm? -128.2 157.5 74.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.25 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 69.0 m-85 -97.74 -36.03 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.47 -28.93 6.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 7.3 pt-20 -73.44 -42.73 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 18.0 mt -58.58 -27.01 64.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 82' ' ' PHE . 1.1 mt -66.2 -62.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -143.77 132.48 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.32 135.36 44.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 90.1 p -115.79 115.73 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.23 81.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -37.67 8.94 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -159.29 142.42 14.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.8 m -95.65 114.07 25.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -132.88 156.53 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -123.3 111.54 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.07 97.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 t -68.44 148.79 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -88.81 -46.13 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.78 136.07 29.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -40.29 152.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 151.0 44.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.3 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 pp -80.99 9.57 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -92.62 102.91 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 20.5 tt0 -82.16 141.09 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.8 Cg_endo -69.75 171.1 15.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -130.8 133.03 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.445 ' CA ' HD11 ' A' ' 33' ' ' LEU . 9.4 m -95.29 107.73 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -112.3 160.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' C ' HD21 ' A' ' 19' ' ' LEU . 63.4 m-85 -106.09 143.77 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mm? -117.14 155.92 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.553 HG23 ' CE1' ' A' ' 96' ' ' TYR . 72.2 mt -147.79 132.29 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.71 115.0 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.76 123.95 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.3 37.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -77.11 112.04 13.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 94' ' ' LEU . 3.9 mm? -120.13 27.89 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.0 mm -118.62 -40.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.75 149.94 36.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -166.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.09 -175.52 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -131.95 117.39 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 ttm105 -75.15 111.8 10.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tp -133.72 142.69 48.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 HD11 ' CA ' ' A' ' 16' ' ' THR . 9.0 tp -105.1 142.95 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.3 mt -125.92 116.24 24.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.749 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 144.01 52.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -43.98 -49.11 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -45.97 -39.69 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -83.29 -44.65 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -46.1 -31.39 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -96.98 118.35 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 22.3 t-105 -67.83 -47.66 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.86 -41.72 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -63.41 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.7 t -70.0 -51.0 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.66 -25.21 66.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 10.0 tp60 -71.14 -30.41 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ptm -93.05 -34.89 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.57 -44.85 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.0 m -53.42 -40.61 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.11 -34.84 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -91.46 -45.9 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.6 mm -115.19 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -102.02 99.74 9.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.84 133.14 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -45.29 -37.23 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -67.63 -32.02 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.25 -157.78 27.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 61' ' ' HIS . . . -71.63 179.41 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 t -86.97 139.64 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.2 m-70 -126.41 -26.16 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' CD ' HD21 ' A' ' 70' ' ' LEU . 9.3 mmt85 -135.7 153.44 51.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -122.7 141.45 51.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' N ' HD12 ' A' ' 63' ' ' LEU . 51.7 m-85 -145.33 141.39 28.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -88.75 163.96 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.04 -22.41 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.42 -30.06 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.34 5.58 22.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 2.2 tmtt? -74.83 154.46 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 3.1 tm? -100.75 133.35 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.516 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 11.7 t -107.01 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 30.1 mt-10 -63.66 -15.82 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.546 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.2 t -157.23 150.27 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -55.63 -11.5 4.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.9 -23.48 31.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 14.3 mt-10 -95.71 23.63 6.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 42.6 mt -106.68 117.27 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -90.67 155.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.49 103.97 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.55 35.71 3.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.11 175.81 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CE2' HD23 ' A' ' 100' ' ' LEU . 95.9 m-85 -114.24 148.51 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 29.2 m-85 -150.41 136.11 18.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 HG22 ' CE2' ' A' ' 96' ' ' TYR . 21.8 t -92.33 135.3 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.85 111.67 23.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -99.65 124.86 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.1 -144.57 10.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -78.8 48.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -155.68 148.05 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 148.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 24.4 t80 -72.78 137.44 45.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -107.11 81.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 22.0 ttmt -52.76 108.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.571 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.3 mt -132.65 154.61 81.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 90.4 m-85 -102.58 -30.01 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.464 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -48.6 -25.21 4.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.17 -34.73 42.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.4 -27.33 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' CE2' ' A' ' 82' ' ' PHE . 14.0 mt -55.9 -58.81 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -107.6 104.2 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.69 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.0 t -71.27 -44.61 64.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.23 153.21 29.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -15.47 36.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.3 m -59.22 150.11 26.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.5 m -47.37 -44.27 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -56.28 -53.05 61.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -38.94 157.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.7 176.69 17.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -151.8 113.56 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -104.27 92.1 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.72 -136.89 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -96.68 90.56 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.35 153.39 37.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -166.81 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.86 83.95 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -103.12 96.02 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -149.21 138.75 12.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.64 37.5 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -136.72 125.18 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -87.76 113.34 23.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.5 pt -125.58 152.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' HB2' ' CD1' ' A' ' 82' ' ' PHE . 80.4 m-85 -96.56 141.29 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -118.57 155.75 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -147.15 137.19 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -64.37 122.85 17.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 5.8 t30 -48.67 133.89 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.17 31.97 74.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -119.39 113.15 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -115.92 2.71 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mm -97.21 -33.35 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.41 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.22 178.26 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -141.35 111.19 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -57.67 102.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -113.59 117.95 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 tp -88.49 141.75 28.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 45' ' ' VAL . 37.7 mt -129.48 116.1 18.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.671 0.748 . . . . 0.0 111.122 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.9 Cg_endo -69.79 138.08 36.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.2 tpt180 -37.28 -49.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -47.49 -48.69 27.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.2 m -71.95 -33.75 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.58 -12.65 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.02 -17.66 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -118.39 148.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CE2' HD23 ' A' ' 46' ' ' LEU . 1.9 t-105 -98.75 -40.57 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.89 -15.11 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -93.99 -36.76 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 46' ' ' LEU . 2.8 p -74.27 -44.62 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD23 ' CE2' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -60.78 -23.59 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.1 tp60 -83.17 -21.05 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 mtm -94.38 -37.9 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG13 ' CG1' ' A' ' 60' ' ' VAL . 4.8 p -57.91 -51.76 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' GLU . 67.6 m -42.56 -48.31 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 40.8 mt-10 -36.76 -41.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 7.2 mptt -84.25 -45.4 12.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 33.4 mm -111.96 96.53 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -96.04 99.8 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 138.03 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -51.53 -38.77 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.5 p -67.43 -26.98 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.99 -109.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.09 175.2 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 49' ' ' VAL . 7.2 p -93.11 148.48 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.5 m170 -125.44 -23.19 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' HD21 ' A' ' 63' ' ' LEU . 1.7 mtp180 -128.26 -179.16 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD21 ' C ' ' A' ' 62' ' ' ARG . 3.9 mm? -138.11 137.77 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CE1' HD13 ' A' ' 70' ' ' LEU . 11.8 m-85 -138.53 139.85 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.8 p -92.75 165.92 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 66' ' ' LEU . 6.0 mp -61.04 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.82 -18.31 62.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.52 22.42 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -99.15 144.22 28.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 64' ' ' TYR . 13.9 tp -97.69 142.94 28.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 73' ' ' SER . 3.5 t -109.48 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.06 -21.31 56.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.486 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 90.7 p -146.08 175.89 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.22 29.3 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -18.81 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 23.0 mt-10 -98.13 25.75 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -101.44 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -158.45 158.98 35.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -85.94 127.63 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.52 55.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -120.56 170.15 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CE1' HD21 ' A' ' 100' ' ' LEU . 73.0 m-85 -110.21 145.82 36.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -147.56 123.13 10.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 60.0 t -81.66 131.85 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 60' ' ' VAL . . . -89.52 107.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.9 t -97.35 118.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.84 -153.82 24.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG2' ' NE2' ' A' ' 61' ' ' HIS . 4.7 mmp_? -51.6 -24.93 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.1 163.15 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 170.55 12.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 19.0 t80 -89.52 105.77 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -75.75 80.35 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 5.6 tmtm? -40.13 113.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 59.9 mt -145.63 155.56 52.79 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 88.6 m-85 -102.21 -28.25 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.431 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -55.09 -17.61 10.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.96 -28.75 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.13 -16.56 59.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' ' 82' ' ' PHE . 7.1 mt -73.51 -62.9 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -120.24 118.85 31.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.17 149.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 t -149.48 133.1 16.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.84 121.57 21.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.44 60.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 p -112.39 -57.58 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -62.43 115.0 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -158.78 119.51 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -135.15 141.65 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.79 129.98 2.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -125.09 157.43 36.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -130.95 158.87 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.23 149.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.545 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -134.43 51.14 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -82.29 152.79 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 178.98 3.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.32 161.05 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -93.88 -76.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -163.57 136.98 4.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.634 0.73 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.1 32.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 m -137.77 125.49 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -91.04 102.8 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 pt -113.31 146.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CD2' ' CE1' ' A' ' 82' ' ' PHE . 94.5 m-85 -94.68 141.23 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.8 mm? -118.21 155.49 30.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -144.65 137.34 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.77 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.59 130.2 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 8.88 85.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.9 114.52 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 94' ' ' LEU . 2.9 mm? -121.11 20.44 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.85 -40.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.86 148.04 34.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -175.09 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -134.87 101.1 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -58.62 117.92 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.06 130.18 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tp -97.21 139.76 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mt -125.79 126.6 24.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 144.74 55.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -52.02 -24.58 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 21.9 tttm -72.68 -28.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.41 HG22 ' CB ' ' A' ' 44' ' ' HIS . 3.7 m -98.08 -22.9 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.09 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.72 -38.88 77.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 10.4 mm100 -89.47 119.28 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.444 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 36.2 t-105 -74.65 -26.13 59.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.9 -32.03 65.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CB ' HG22 ' A' ' 38' ' ' THR . 11.4 m170 -71.66 -30.65 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.77 -45.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -90.96 -30.63 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mtm -89.19 -25.93 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.99 -33.25 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.5 m -64.0 -43.29 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -49.23 -32.47 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -92.93 -44.63 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.4 mm -110.14 100.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.8 m -93.51 101.08 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.63 136.46 51.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -54.78 -28.3 47.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 p -82.04 -26.76 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.8 -134.28 4.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.5 -178.7 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 85' ' ' ALA . 71.6 t -88.65 143.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 10.2 m-70 -124.2 -23.29 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -154.83 157.74 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.8 mm? -111.66 156.91 21.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -151.65 129.19 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -73.59 -179.25 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mt -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -89.49 -13.14 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.41 9.1 42.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -77.33 157.84 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 tp -114.53 124.93 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 3.1 t -99.33 87.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -4.93 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.429 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 2.2 t -165.66 150.55 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.98 -10.3 6.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.65 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 4.6 mt-10 -98.85 -17.7 18.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.7 mt -58.25 165.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -141.49 162.57 35.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -93.18 118.51 31.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.95 13.6 58.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -105.49 -179.46 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 100' ' ' LEU . 11.0 m-85 -120.99 151.18 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -150.28 130.71 13.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 96' ' ' TYR . 58.9 t -85.32 134.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 60' ' ' VAL . . . -90.87 118.53 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.09 130.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.42 -124.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 48.6 mtp180 -98.9 45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -150.15 136.8 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -36.22 152.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.1 t80 -80.39 122.33 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -79.5 85.68 5.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tmtt? -46.6 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 43.9 mt -143.16 153.41 59.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.05 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.516 ' CE2' HG22 ' A' ' 84' ' ' VAL . 87.4 m-85 -105.73 -32.31 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -60.35 -11.67 21.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.14 -31.64 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -72.85 -65.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.4 112.46 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.49 167.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -135.49 131.31 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.47 -93.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 83.47 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 t -172.1 127.64 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -130.94 129.29 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 48.0 p 36.1 44.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -107.25 178.41 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.11 142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 p -101.84 143.3 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -52.99 -55.96 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.52 -104.88 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -145.7 126.03 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -102.69 143.55 26.82 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.94 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 19.2 mt -72.09 121.12 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 11' ' ' LEU . 1.3 mp0 -121.42 94.11 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -104.56 140.08 20.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.61 18.49 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.5 t -137.2 133.93 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.442 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.9 m -101.46 115.86 31.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.5 pt -122.93 154.0 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 31' ' ' ARG . 86.3 m-85 -99.66 143.24 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -125.07 151.13 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.429 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 76.3 mt -140.45 153.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.43 133.19 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -66.93 130.46 43.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.54 15.31 81.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -113.42 117.26 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 94' ' ' LEU . 2.4 mm? -121.53 26.23 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -119.31 -40.27 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.29 136.96 21.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.76 2.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -78.53 175.42 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -130.93 123.24 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 10.4 ttt180 -73.26 117.64 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -132.37 135.51 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.4 tp -101.55 139.56 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -125.65 117.98 24.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.8 139.35 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 7.4 tpt180 -37.24 -41.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -51.65 -46.31 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 35' ' ' PRO . 89.0 m -74.25 -39.99 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -51.86 -34.35 40.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.51 -24.83 67.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -115.21 123.89 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' NE1' HD21 ' A' ' 46' ' ' LEU . 17.6 t-105 -74.4 -39.8 62.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.38 -44.51 88.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -55.73 -40.95 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' MET . 48.2 t -62.85 -61.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 2.1 mm? -47.59 -23.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -85.38 -29.79 24.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' VAL . 8.6 mtm -88.26 -52.13 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' CG1' ' A' ' 60' ' ' VAL . 2.1 p -46.46 -45.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . 55.0 m -48.78 -55.15 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' THR . 25.9 mt-10 -38.52 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -41.81 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.94 97.09 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -93.76 103.88 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.31 156.34 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -62.69 -32.98 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -74.01 -29.22 61.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.55 -110.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.9 164.12 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' A' ' 49' ' ' VAL . 13.8 p -90.29 144.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.466 ' N ' HG23 ' A' ' 60' ' ' VAL . 5.6 m170 -121.99 -25.64 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -132.08 163.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.87 145.1 48.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CE1' HD22 ' A' ' 70' ' ' LEU . 57.8 m-85 -142.53 129.32 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.44 HG23 ' CD2' ' A' ' 83' ' ' TYR . 6.9 p -68.71 177.44 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.86 -16.54 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.9 -25.63 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.37 23.42 5.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 4.2 tmtt? -89.7 153.6 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.516 HD22 ' CE1' ' A' ' 64' ' ' TYR . 2.3 tm? -102.87 132.48 49.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 73' ' ' SER . 5.9 t -112.92 85.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.67 -24.31 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.507 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -148.64 158.88 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -63.74 -3.4 7.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.57 -24.8 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 22.4 mt-10 -93.26 19.11 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -97.05 161.43 13.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HB3' ' CG ' ' A' ' 81' ' ' GLN . 2.6 tt0 -142.38 156.72 45.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 6.0 p30 -71.42 101.67 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.45 41.09 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 40.7 mm-40 -116.87 170.03 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 100' ' ' LEU . 48.8 m-85 -120.85 140.78 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.44 ' CD2' HG23 ' A' ' 65' ' ' THR . 80.7 m-85 -146.76 128.45 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.12 137.71 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.26 119.68 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' N ' HG21 ' A' ' 60' ' ' VAL . 45.7 t -113.48 129.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.3 -149.3 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -79.81 44.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.48 -177.24 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 150.8 39.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 18.4 t80 -80.98 110.1 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -73.38 85.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.15 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 21.9 mt -133.64 150.61 75.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.74 110.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 79.3 m-85 -114.13 -30.39 6.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -49.3 -19.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 95' ' ' PRO . 12.7 mp0 -85.56 -37.67 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.23 -24.4 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 82' ' ' PHE . 10.8 mt -64.39 -57.31 9.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -142.09 -176.31 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.71 141.09 1.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 98' ' ' GLU . 10.8 p -134.16 -53.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.28 -91.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.46 7.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.6 m 44.11 50.17 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.9 m -120.03 93.95 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -147.24 145.09 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -82.66 -55.01 4.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.68 105.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -103.08 -47.03 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 p -96.58 116.09 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.36 89.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -116.49 120.57 39.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -55.41 141.49 62.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 174.48 9.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 mt -42.41 -34.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 58.8 mt-30 -59.4 101.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 45.3 tt0 -80.63 140.36 51.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.3 Cg_endo -69.87 170.55 16.45 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' C ' HD11 ' A' ' 33' ' ' LEU . 7.0 m -137.23 135.92 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 m -98.04 125.85 43.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CD1' HD12 ' A' ' 34' ' ' ILE . 24.2 pt -125.94 167.73 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.83 130.99 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -125.86 150.08 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 21' ' ' ALA . 42.1 mt -132.25 164.18 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' N ' ' CG2' ' A' ' 20' ' ' ILE . . . -89.99 115.99 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.1 p-10 -52.19 118.09 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.05 -19.07 50.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' C ' HD21 ' A' ' 25' ' ' LEU . 2.3 t70 -85.98 115.8 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 HD23 ' CD1' ' A' ' 94' ' ' LEU . 1.4 mm? -118.42 24.22 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 26' ' ' ILE . 4.4 mp -117.46 -46.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.76 142.33 24.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.36 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -80.07 -178.84 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.2 m -125.02 97.27 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -52.87 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 tp -119.62 130.02 54.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 15' ' ' CYS . 5.6 tp -87.1 150.54 23.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 17' ' ' ILE . 8.2 mt -131.94 119.38 16.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 111.145 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.89 49.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' A' ' 12' ' ' GLN . 8.7 tpt180 -50.25 -26.4 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.3 tmtp? -70.0 -31.92 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -89.35 -34.45 16.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.43 -24.39 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 24.4 p30 -79.14 -36.65 40.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 5.8 mm100 -98.01 121.72 40.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 46' ' ' LEU . 10.2 t-105 -75.42 -27.49 59.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -81.04 -9.37 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -95.95 -31.51 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.96 -36.75 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 42' ' ' TRP . 1.1 mm? -74.17 -13.25 60.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 42.2 tp60 -90.08 -22.56 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 ptm -96.27 -29.42 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 19' ' ' LEU . 7.3 p -65.24 -44.16 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.3 m -52.29 -45.51 65.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -52.17 -25.71 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -101.31 -30.23 11.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -121.38 86.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.2 m -84.44 104.5 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.52 162.36 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 14.5 ttp-105 -67.27 -44.54 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.51 -27.93 68.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.86 -117.99 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.23 166.53 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 49' ' ' VAL . 12.5 p -86.86 154.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.8 m-70 -132.27 -32.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -129.48 166.95 18.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.544 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 4.0 mm? -121.03 153.84 36.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 42.0 m-85 -152.08 130.67 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.8 p -74.1 -178.18 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.27 -15.3 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -91.05 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.98 19.12 9.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -75.8 162.1 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.7 tp -118.16 123.92 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 2.6 t -110.41 81.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.36 -25.48 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.1 t -134.16 170.21 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.37 20.71 6.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 23.0 mt-10 -101.59 23.8 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.84 165.29 12.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -151.63 169.28 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.63 131.85 34.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.2 29.68 75.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.749 ' NE2' ' H ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -101.13 147.02 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.749 ' H ' ' NE2' ' A' ' 81' ' ' GLN . 69.4 m-85 -97.92 131.9 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 81' ' ' GLN . 80.2 m-85 -130.67 175.23 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' TYR . 98.9 t -129.27 130.32 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' CB ' HG21 ' A' ' 60' ' ' VAL . . . -89.59 108.36 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.409 ' N ' HG23 ' A' ' 60' ' ' VAL . 53.1 t -104.41 129.01 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.86 -150.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 58.9 mtt-85 -76.41 47.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.47 -178.54 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -75.49 146.72 40.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t80 -79.86 99.41 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -67.13 77.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.2 ttpm? -42.82 120.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.8 mt -148.26 155.36 42.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.505 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 95.9 m-85 -100.71 -35.06 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -49.93 -17.4 1.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.07 -32.68 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.06 -23.95 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 5.4 mt -62.78 -61.24 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -144.99 129.4 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -77.99 131.76 37.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -40.94 -53.31 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.3 142.03 9.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.4 68.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.3 t -117.3 42.1 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -51.11 170.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -123.45 150.85 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -134.61 108.95 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.26 -119.83 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m 57.57 46.31 17.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.814 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -130.96 111.42 12.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -120.38 4.76 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -60.05 131.53 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -93.13 143.74 27.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.95 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 14.1 mt -69.68 77.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 11' ' ' LEU . 8.3 mp0 -131.85 90.29 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.96 132.25 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.464 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.76 164.68 33.64 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -134.97 91.71 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.8 m -61.69 106.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 pt -119.32 150.69 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 26.5 m-85 -102.28 145.67 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.6 mm? -119.69 153.12 36.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 21' ' ' ALA . 66.0 mt -142.21 148.22 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 20' ' ' ILE . . . -80.78 121.18 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.24 116.88 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.34 -16.7 55.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.66 113.39 23.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 94' ' ' LEU . 4.5 mm? -120.73 28.56 7.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 mm -118.39 -38.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.7 145.57 30.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.52 174.62 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -127.48 96.46 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 27.1 ttp180 -49.36 105.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 52' ' ' LYS . 4.2 tp -122.14 117.52 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 34' ' ' ILE . 5.7 tt -89.33 148.22 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.589 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 26.6 mt -133.03 130.47 21.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.76 129.26 17.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' PRO . 4.9 tpt180 -36.22 -38.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 1.3 tmmt? -51.67 -47.92 63.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.6 m -68.11 -42.72 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -45.81 -39.7 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -46.61 -34.83 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -106.09 166.74 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 15.6 t-105 -110.84 -34.91 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.16 -35.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -69.23 -40.21 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.1 t -58.08 -58.8 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.6 mt -50.57 -39.12 48.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -50.89 -30.08 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.9 mtm -92.4 -33.82 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.4 t -60.78 -38.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -66.96 -37.95 85.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.63 -32.01 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' CG ' HD12 ' A' ' 32' ' ' LEU . 61.9 mmtt -96.16 -43.58 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 21' ' ' ALA . 39.8 mm -115.99 97.86 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.8 m -98.44 101.71 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.39 138.87 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -47.13 -40.5 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -65.68 -31.21 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.73 -142.55 9.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.03 178.25 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -95.29 126.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.2 m-70 -106.17 -29.52 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' C ' HD23 ' A' ' 63' ' ' LEU . 13.4 mtm105 -136.24 158.7 43.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 62' ' ' ARG . 3.9 mm? -115.64 148.09 40.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -140.18 126.57 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -75.54 166.47 23.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.97 -28.66 62.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -77.89 -17.25 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 4.8 47.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.55 149.44 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.0 tp -98.54 144.12 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.593 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 67.9 t -116.64 84.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -56.84 -23.29 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ALA . 29.6 m -153.18 142.07 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.531 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.76 -21.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -43.34 -22.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 21.5 mt-10 -89.76 -32.59 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.553 HD23 ' CE2' ' A' ' 83' ' ' TYR . 79.5 mt -46.51 164.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' N ' ' OH ' ' A' ' 83' ' ' TYR . 20.7 tt0 -147.34 160.19 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.57 121.02 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.56 39.32 25.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -122.52 168.31 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 59.8 m-85 -112.38 144.5 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.553 ' CE2' HD23 ' A' ' 77' ' ' LEU . 53.9 m-85 -145.64 139.18 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.6 t -98.83 140.36 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.51 128.57 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.6 t -121.19 115.5 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.75 -143.64 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 26.7 mtp180 -83.61 44.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.21 153.86 40.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 157.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 25.1 t80 -86.28 125.72 33.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -90.81 87.48 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -51.89 106.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CB ' HD23 ' A' ' 25' ' ' LEU . 10.2 mt -134.05 153.34 79.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.92 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 62.4 m-85 -99.7 -32.57 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -51.81 -26.29 17.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.35 -37.29 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.9 mt -66.47 -28.86 68.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 82' ' ' PHE . 24.3 mt -55.25 -58.58 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -147.09 -175.14 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -135.84 159.17 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 t -47.37 -44.27 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -42.29 102.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.7 Cg_endo -69.74 88.27 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -71.28 143.05 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 p -95.42 87.81 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -73.61 91.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -102.29 -55.76 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.68 74.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -154.98 157.32 37.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -138.86 135.35 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.34 -92.27 0.67 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -83.88 43.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -91.95 132.64 32.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' LEU . 53.3 Cg_endo -69.84 160.31 50.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -37.57 -53.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.6 tp60 48.53 53.19 12.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -124.99 156.5 69.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 142.77 48.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.58 145.49 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -105.77 113.07 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 pt -120.78 155.65 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 33.5 m-85 -100.4 151.82 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 1.5 mm? -124.07 153.76 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.465 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 78.2 mt -147.68 131.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.29 129.42 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.46 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 0.9 OUTLIER -59.69 116.1 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.6 29.64 26.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.03 110.33 16.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 mt -110.65 -1.71 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.97 -31.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.47 137.16 20.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.665 2.244 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -89.34 179.84 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -136.17 116.05 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 31' ' ' ARG . 19.5 ttp-105 -73.45 112.67 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.89 124.53 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 tp -86.27 145.82 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.86 121.12 21.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.74 136.22 32.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' NH2' ' CD1' ' A' ' 11' ' ' LEU . 15.2 tpp180 -39.43 -40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.02 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' PRO . 89.0 m -75.14 -43.74 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.69 -33.14 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -40.29 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -93.3 116.29 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.5 t-105 -70.09 -35.45 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.26 -42.23 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -58.64 -36.55 74.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.42 -40.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.94 -24.94 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 22.3 tp60 -80.69 -22.47 40.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mtm -95.53 -40.18 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 60' ' ' VAL . 5.3 p -53.42 -27.15 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -71.62 -47.34 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -44.17 -33.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -92.46 -45.25 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mm -115.84 97.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -93.46 99.77 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.02 138.79 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.9 ptt180 -53.18 -32.73 49.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 32.0 m -76.24 -18.06 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.02 -143.42 12.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.86 175.85 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 61' ' ' HIS . 66.9 t -89.69 139.97 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.466 ' N ' HG12 ' A' ' 60' ' ' VAL . 5.3 m-70 -118.14 -31.19 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.415 ' C ' HD23 ' A' ' 63' ' ' LEU . 16.2 ptp180 -138.27 167.35 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 63' ' ' LEU . 4.2 mm? -122.24 147.61 46.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -141.29 132.81 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.448 HG22 ' CD2' ' A' ' 83' ' ' TYR . 10.6 p -76.88 168.18 20.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.14 29.68 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 6.7 tmtm? -96.51 150.8 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 20.3 tp -99.58 129.84 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.511 ' O ' ' CZ2' ' A' ' 42' ' ' TRP . 76.3 t -104.19 81.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.9 -29.69 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.7 t -148.36 141.56 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.551 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.82 -21.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.3 -29.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 71' ' ' VAL . 28.3 mt-10 -81.16 -29.84 34.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 83' ' ' TYR . 39.2 mt -51.39 164.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -137.62 155.4 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.23 110.01 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.69 43.8 6.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -128.11 166.51 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 72.4 m-85 -103.42 141.59 35.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 95.7 m-85 -144.68 131.3 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 81.0 t -83.8 129.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . . . -89.33 112.66 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 87' ' ' GLY . 24.6 t -101.88 137.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 86' ' ' VAL . . . -104.99 -159.49 23.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.7 mtp85 -45.03 -33.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.3 154.82 37.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.68 175.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.35 109.24 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -73.07 82.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -42.59 113.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 mt -151.67 152.65 30.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.963 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CE2' HG22 ' A' ' 84' ' ' VAL . 88.2 m-85 -98.75 -37.05 9.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.74 -22.25 11.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -77.38 -34.28 54.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.3 mt -66.97 -23.49 65.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD21 ' CE2' ' A' ' 82' ' ' PHE . 12.3 mt -68.39 -53.19 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -127.02 125.41 41.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.7 t0 65.08 38.45 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.3 p -45.58 104.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.38 114.78 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.42 69.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.2 m -45.97 105.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 m -159.13 177.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 9.3 tp10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 53.9 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.23 128.45 47.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 11.0 m -100.87 102.39 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 34' ' ' ILE . 21.6 pt -112.53 151.73 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.1 m-85 -99.79 140.67 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 19' ' ' LEU . 2.1 mm? -113.41 155.15 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 19' ' ' LEU . 71.2 mt -147.01 134.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 125.31 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -65.31 129.14 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 84.38 7.94 84.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -110.68 116.65 31.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.747 HD13 HD11 ' A' ' 99' ' ' LEU . 4.3 mm? -119.48 29.0 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.0 mp -121.65 -36.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -97.06 142.92 25.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.22 179.95 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -136.63 108.98 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.548 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 50.0 ttp85 -69.42 108.48 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.56 144.84 48.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.0 tp -107.31 139.47 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 17' ' ' ILE . 1.7 mt -120.73 119.76 29.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 150.36 68.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -58.28 -32.81 68.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.6 ptmm? -62.71 -29.09 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 44' ' ' HIS . 5.3 m -97.4 -33.36 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.93 -44.17 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.7 p30 -58.63 -40.99 84.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -93.13 95.14 9.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 47.0 t-105 -51.81 -42.35 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 4.8 t0 -55.46 -40.35 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 38' ' ' THR . 18.4 m170 -64.89 -32.69 74.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.52 -52.36 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD21 ' NE1' ' A' ' 42' ' ' TRP . 1.9 mm? -57.43 -35.98 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 31.3 tp60 -62.52 -27.14 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.418 ' SD ' HG21 ' A' ' 38' ' ' THR . 34.6 mtp -93.99 -37.75 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.99 -37.29 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.6 m -62.88 -40.69 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -52.03 -30.5 25.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -96.54 -40.06 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mm -122.5 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -89.36 101.13 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.35 143.08 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -57.99 -28.15 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.9 p -74.35 -19.0 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.48 -111.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.49 178.57 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 t -90.42 142.88 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -123.74 -21.56 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -155.39 157.94 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -114.4 155.47 26.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -144.01 130.94 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.648 HG22 ' CE2' ' A' ' 83' ' ' TYR . 58.7 p -77.09 172.31 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.28 -16.14 63.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.13 -17.2 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.15 19.59 11.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -81.78 160.35 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tp -118.62 121.31 39.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.0 t -103.76 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.596 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 34.9 mt-10 -82.68 -19.41 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 71' ' ' VAL . 84.4 p -143.28 179.54 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -81.99 26.5 3.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.84 -27.03 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.708 0.29 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.822 ' HB2' HG13 ' A' ' 71' ' ' VAL . 24.3 mt-10 -89.88 -8.48 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 71.3 mt -64.76 172.51 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -152.04 173.6 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -99.04 105.82 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.13 43.54 7.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -119.46 165.53 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.1 m-85 -105.67 141.86 36.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 65' ' ' THR . 70.3 m-85 -142.98 166.1 25.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 96' ' ' TYR . 32.8 t -121.84 139.95 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.78 109.12 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.443 HG13 ' OD1' ' A' ' 89' ' ' ASP . 38.6 t -107.28 123.57 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.63 -136.75 3.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -83.79 40.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD1' HG13 ' A' ' 86' ' ' VAL . 11.3 p30 -134.68 179.78 6.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 3.6 mppt? -83.44 155.09 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 83.2 t80 -73.78 112.63 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 43.2 mttp -86.55 74.69 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 13.1 tptp -39.56 96.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.712 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -121.6 154.82 60.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 84' ' ' VAL . 79.7 m-85 -102.72 -31.62 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.83 -18.49 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -85.49 -37.27 19.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.747 HD11 HD13 ' A' ' 25' ' ' LEU . 14.5 mt -64.15 -27.15 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.639 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.75 171.39 14.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.734 2.289 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -136.42 132.98 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 8.7 m -98.37 112.84 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.86 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.0 pt -119.8 159.74 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.73 ' C ' HD22 ' A' ' 19' ' ' LEU . 95.5 m-85 -106.67 138.57 42.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.769 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -120.54 151.21 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 52.3 mt -141.34 143.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -73.26 123.51 23.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.99 127.39 31.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.87 7.54 66.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.544 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.1 t70 -111.71 120.26 41.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -125.04 16.17 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.676 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -111.79 -43.5 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -91.34 143.03 27.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -171.0 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.32 -177.53 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.46 122.89 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HE ' HG21 ' A' ' 16' ' ' THR . 31.2 ttt180 -76.21 113.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.55 141.65 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 14' ' ' PRO . 4.6 tp -104.36 139.65 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.448 HG12 ' HE1' ' A' ' 48' ' ' MET . 53.1 mt -121.33 118.69 29.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.08 49.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -44.19 -60.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -40.64 -28.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 44' ' ' HIS . 53.2 m -93.02 -41.32 10.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.3 mt -45.65 -36.85 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.1 p30 -65.53 -39.35 91.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 36.4 mt-30 -90.67 120.2 31.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -70.88 -43.55 68.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.22 -45.82 79.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.707 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.9 m170 -56.82 -33.95 67.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.91 -59.09 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -22.13 2.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -33.37 58.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.448 ' HE1' HG12 ' A' ' 34' ' ' ILE . 34.7 mtp -87.85 -31.98 19.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.747 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 p -65.67 -36.12 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -64.97 -48.0 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -49.31 -27.66 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -97.97 -37.49 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 21' ' ' ALA . 7.0 mm -118.59 95.09 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -86.08 107.0 17.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.8 mp -82.98 166.23 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -52.52 -31.85 37.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.4 t -74.1 -30.54 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.33 -12.45 33.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.66 149.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.474 HG21 ' HB1' ' A' ' 85' ' ' ALA . 72.3 t -88.22 154.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.432 ' N ' HG12 ' A' ' 60' ' ' VAL . 1.6 m80 -129.43 -32.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -138.87 155.74 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 mm? -115.67 161.28 18.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 55.8 m-85 -153.11 142.14 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 83' ' ' TYR . 68.6 p -83.05 -179.46 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.631 HD23 ' N ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -86.31 -13.27 47.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -89.13 -17.07 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.09 31.36 3.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -110.93 162.43 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -123.58 144.06 49.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 73' ' ' SER . 40.9 t -107.64 136.18 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HG3' HD21 ' A' ' 70' ' ' LEU . 11.2 mt-10 -115.63 4.22 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.553 ' H ' HG12 ' A' ' 71' ' ' VAL . 1.7 t -172.36 -178.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.96 17.83 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.03 27.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.5 mt-10 -88.98 -28.94 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt -46.06 127.58 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.86 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.1 tt0 -110.32 171.22 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.69 102.07 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.57 6.35 57.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 2.6 tp-100 -94.02 171.8 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.713 ' CD2' HD22 ' A' ' 100' ' ' LEU . 32.0 m-85 -111.96 133.98 53.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 65' ' ' THR . 85.2 m-85 -132.84 127.08 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.008 HG21 ' CE2' ' A' ' 96' ' ' TYR . 39.1 t -83.1 134.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -94.3 126.47 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.81 128.94 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -154.44 23.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG2' ' CD2' ' A' ' 61' ' ' HIS . 17.8 mmm180 -54.88 -15.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.53 171.4 14.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 167.04 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 7.9 t80 -87.55 119.32 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -82.33 92.05 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -48.38 94.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 25' ' ' LEU . 17.1 mt -130.28 150.74 77.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 104.23 1.28 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 1.008 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.8 m-85 -99.27 -36.28 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -16.12 15.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.26 -36.76 24.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 25' ' ' LEU . 12.2 mt -65.01 -22.97 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.713 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.81 168.57 21.24 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -132.31 109.13 9.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.497 HG21 ' NE ' ' A' ' 31' ' ' ARG . 9.2 m -75.39 123.52 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 19' ' ' LEU . 22.9 pt -129.71 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 96.3 m-85 -103.83 131.08 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -110.95 148.54 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.23 135.72 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 126.71 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -60.7 136.41 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.82 16.06 80.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -115.97 119.74 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.961 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -125.01 23.81 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.672 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -115.85 -48.98 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -87.64 145.66 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -168.8 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.83 -174.94 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.424 ' OG ' HD11 ' A' ' 53' ' ' ILE . 4.8 p -137.06 110.1 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.497 ' NE ' HG21 ' A' ' 16' ' ' THR . 7.5 ttt85 -68.16 96.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -113.91 121.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 14' ' ' PRO . 5.9 tp -87.76 137.32 32.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 45' ' ' VAL . 17.5 mt -122.55 124.45 26.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.737 . . . . 0.0 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.02 58.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -43.95 -41.81 5.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.7 m -76.96 -37.74 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.4 -21.08 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -77.83 -30.83 51.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -107.16 93.24 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HZ3' HD11 ' A' ' 77' ' ' LEU . 13.2 t-105 -42.67 -45.88 4.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.01 -42.99 81.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 38' ' ' THR . 2.0 m80 -64.58 -37.31 87.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 34' ' ' ILE . 45.3 t -60.02 -50.01 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.96 -42.58 94.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -47.42 -33.49 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.2 mtp -90.63 -39.83 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.96 -42.22 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.5 m -60.2 -40.38 89.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.77 -30.72 24.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.64 -38.45 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.424 HD11 ' OG ' ' A' ' 30' ' ' SER . 46.5 mm -120.15 94.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -106.34 101.46 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.682 ' H ' HD12 ' A' ' 55' ' ' LEU . 1.6 mp -74.33 154.4 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -61.95 -32.11 72.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.9 p -66.72 -35.3 79.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.83 -162.0 29.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 175.15 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 48.2 t -88.52 143.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 2.4 m80 -122.33 -29.46 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -145.33 166.36 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mm? -119.06 160.12 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 65.4 m-85 -155.06 126.14 7.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.402 HG22 ' CD2' ' A' ' 83' ' ' TYR . 70.9 p -71.87 179.12 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 96' ' ' TYR . 5.0 mt -75.96 -16.53 59.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.06 -15.93 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.01 21.49 10.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -91.15 142.31 27.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' CZ ' ' A' ' 64' ' ' TYR . 15.5 tp -98.87 132.01 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 76' ' ' GLU . 92.2 t -112.43 99.92 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -92.31 7.16 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 5.4 t -151.81 158.93 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 29.93 2.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -22.17 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 71' ' ' VAL . 17.5 mt-10 -83.93 -22.51 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 ' HZ3' ' A' ' 42' ' ' TRP . 52.5 mt -66.12 145.36 55.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -131.13 162.34 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 7.1 p-10 -80.96 106.68 13.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.81 37.32 5.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -122.31 174.81 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.6 m-85 -114.85 153.28 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 76.8 m-85 -158.56 131.05 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.8 t -88.62 135.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.26 121.7 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.75 118.57 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.94 -133.97 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 9.1 mtp-105 -86.72 44.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.73 174.95 10.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.98 162.59 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 64' ' ' TYR . 86.6 t80 -82.08 102.2 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -66.69 79.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -42.55 99.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 25' ' ' LEU . 9.1 mt -136.07 151.36 73.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 84' ' ' VAL . 87.1 m-85 -105.44 -33.93 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.74 -15.79 14.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.67 -36.71 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 25' ' ' LEU . 13.3 mt -65.88 -27.08 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.1 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.0 Cg_endo -69.81 159.58 52.83 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.377 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' C ' HD12 ' A' ' 33' ' ' LEU . 19.1 m -130.19 125.01 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -89.56 121.35 31.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 19' ' ' LEU . 26.5 pt -127.74 147.54 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 81.2 m-85 -95.98 135.04 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -113.94 138.19 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 59.2 mt -128.51 148.97 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -74.95 122.2 23.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -56.53 114.69 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.26 -3.29 58.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.11 110.31 22.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -114.24 19.31 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.5 mp -114.54 -46.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.11 143.18 28.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -89.92 -175.92 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -130.02 105.48 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -55.46 96.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' HD23 ' A' ' 19' ' ' LEU . 25.5 tp -117.43 137.31 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 14' ' ' PRO . 6.2 tp -107.77 149.33 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.442 ' N ' ' HG ' ' A' ' 33' ' ' LEU . 49.3 mt -130.57 124.38 20.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.728 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -36.19 -54.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -43.99 -48.94 8.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 44' ' ' HIS . 99.2 m -71.18 -41.08 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.2 mt -48.6 -23.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.62 -37.49 73.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.04 124.9 48.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 35.9 t-105 -71.29 -44.21 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -31.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.519 ' HB3' HG23 ' A' ' 38' ' ' THR . 18.9 m170 -72.98 -27.03 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.55 -50.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.3 mm? -56.87 -37.82 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 17.0 tp60 -55.53 -33.04 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.5 mtp -93.31 -37.53 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.14 -36.49 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.0 m -63.53 -41.23 98.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.23 -37.45 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.1 mptt -89.22 -45.3 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 21' ' ' ALA . 37.7 mm -113.2 99.96 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -98.89 102.43 14.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 mt -71.92 144.58 48.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.44 -20.12 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -86.29 -8.38 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.18 -163.9 21.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.75 167.07 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 t -79.34 149.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 88' ' ' ARG . 3.7 m80 -125.2 -30.9 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' VAL . 36.6 mtm180 -147.19 178.46 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.657 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 3.9 mp -139.54 158.8 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.68 ' OH ' HD12 ' A' ' 70' ' ' LEU . 28.0 m-85 -148.88 133.75 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -68.32 173.48 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.675 HD23 ' N ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -71.88 -10.67 60.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -93.39 -16.34 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 -5.48 24.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -60.55 160.35 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.68 HD12 ' OH ' ' A' ' 64' ' ' TYR . 7.1 tt -118.65 137.35 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.4 t -119.4 106.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 32.9 mt-10 -87.39 -21.69 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 71' ' ' VAL . 85.1 p -141.37 179.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.72 23.5 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.22 -22.92 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.763 ' HB2' HG13 ' A' ' 71' ' ' VAL . 12.8 mt-10 -96.71 9.81 40.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.29 -177.6 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -160.05 156.51 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -83.13 113.01 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.81 35.63 15.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -120.75 174.17 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.888 ' CE2' HD22 ' A' ' 100' ' ' LEU . 19.2 m-85 -112.2 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -147.78 129.32 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 96' ' ' TYR . 44.1 t -81.82 137.82 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.47 109.01 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.434 HG21 ' CD1' ' A' ' 64' ' ' TYR . 74.2 t -105.32 127.34 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.55 -136.64 5.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.53 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 32.8 mtp180 -86.75 39.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.78 166.75 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -64.19 162.74 13.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 93' ' ' LYS . 8.6 t80 -95.86 114.94 26.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -74.53 102.03 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 91' ' ' PHE . 5.9 tmtt? -56.93 91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 25' ' ' LEU . 75.6 mt -129.19 151.51 77.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.92 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.456 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.5 m-85 -101.43 -33.79 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -61.16 -14.13 38.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -84.52 -29.23 26.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 25' ' ' LEU . 7.0 mt -72.96 -18.93 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.888 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.1 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.22 19.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.1 t -127.13 144.88 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -112.51 109.2 18.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 34' ' ' ILE . 22.1 pt -119.98 153.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.599 ' C ' HD22 ' A' ' 19' ' ' LEU . 22.2 m-85 -100.85 137.39 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.604 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.9 mm? -112.68 148.2 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 96' ' ' TYR . 45.1 mt -142.02 142.0 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -73.65 118.88 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.2 p-10 -57.46 118.3 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.04 6.76 55.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.964 HD13 HD11 ' A' ' 99' ' ' LEU . 4.2 mm? -113.83 8.57 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.6 mp -105.94 -37.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -92.33 139.43 24.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -169.55 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.28 177.1 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -131.23 104.83 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -62.46 99.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 19' ' ' LEU . 12.4 tp -110.97 137.05 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 15' ' ' CYS . 6.1 tp -100.92 141.67 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' THR . 2.1 mt -126.98 119.43 22.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.45 57.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -46.41 -43.57 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.7 pttm -52.77 -32.35 43.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 45' ' ' VAL . 55.1 m -80.4 -40.89 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -35.21 26.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -56.58 -28.7 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.3 mm100 -114.28 143.0 45.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 31.8 t-105 -90.97 -27.89 18.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.51 -28.69 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -74.09 -21.08 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 38' ' ' THR . 47.9 t -79.17 -41.58 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.28 -38.69 91.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 19.7 tp60 -56.9 -32.26 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.3 mtp -91.01 -26.55 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 HG21 ' A' ' 60' ' ' VAL . 21.5 t -68.57 -40.59 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.692 ' OG1' HG23 ' A' ' 60' ' ' VAL . 46.6 m -61.26 -40.01 92.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -47.47 -31.47 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -96.57 -46.08 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 34.0 mm -108.87 95.45 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -95.53 109.09 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.94 135.89 34.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -53.66 -20.84 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -26.64 35.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.22 -138.42 6.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.36 178.94 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG23 ' OG1' ' A' ' 50' ' ' THR . 13.6 t -82.88 140.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 44.1 m80 -121.06 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.674 ' O ' HD22 ' A' ' 63' ' ' LEU . 19.7 mtp85 -136.92 176.82 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 62' ' ' ARG . 4.2 mm? -133.0 141.04 48.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -140.6 129.33 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.9 p -71.66 -174.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.08 -9.38 59.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -95.26 -21.08 18.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.14 15.04 12.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -81.76 160.37 23.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.53 133.17 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.95 HG13 ' HB2' ' A' ' 76' ' ' GLU . 4.0 t -112.25 84.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.87 -28.27 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.776 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.5 p -142.01 160.55 39.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.99 0.17 12.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.77 -15.6 62.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.95 ' HB2' HG13 ' A' ' 71' ' ' VAL . 3.6 mt-10 -102.38 5.09 39.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.09 173.92 12.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -148.98 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -86.04 106.5 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 27.2 7.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -114.83 168.96 9.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' HD22 ' A' ' 100' ' ' LEU . 6.3 m-85 -114.16 144.33 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -143.23 138.97 30.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.8 t -91.15 140.64 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -94.45 109.02 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 91' ' ' PHE . 39.6 t -105.83 125.62 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.19 -140.92 2.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 28.9 mtm105 -85.93 39.4 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' HD3' ' A' ' 90' ' ' LYS . 8.3 t0 -140.93 158.12 44.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' HD3' ' CG ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -45.48 161.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 2.3 t80 -99.04 121.19 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -86.94 96.27 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -62.72 88.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 11.8 mt -116.26 153.4 48.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.222 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.709 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.3 m-85 -104.23 -32.78 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.509 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.81 -11.15 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -90.23 -33.58 16.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 25' ' ' LEU . 10.1 mt -71.25 -19.42 62.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.4 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.675 0.75 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.71 171.84 13.67 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -121.25 129.84 53.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -104.03 98.02 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 34' ' ' ILE . 23.4 pt -115.02 151.34 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.638 ' C ' HD22 ' A' ' 19' ' ' LEU . 39.7 m-85 -99.06 140.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.638 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -112.89 153.07 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.6 137.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.12 107.53 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' CE ' ' A' ' 92' ' ' LYS . 23.1 t30 -49.44 121.05 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -8.03 57.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.42 114.46 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -113.92 16.7 18.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.25 -42.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -93.51 141.45 23.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -168.2 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -84.9 -175.89 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -140.18 105.16 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 42.2 ttp180 -61.87 106.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 52' ' ' LYS . 6.0 tp -123.34 122.96 39.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 14' ' ' PRO . 6.9 tp -83.04 145.31 29.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 17' ' ' ILE . 13.1 mt -130.37 118.73 18.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.79 125.74 12.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.896 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tpp85 -35.51 -57.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -35.7 -43.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 54.6 m -75.83 -40.01 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.896 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -48.76 -25.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.05 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -111.67 106.5 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 14.4 t-105 -54.83 -39.66 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.29 -42.85 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -66.39 -38.19 86.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -58.23 -58.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 61' ' ' HIS . 65.3 mt -49.19 -42.33 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -48.17 -27.02 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.1 mtm -95.75 -29.98 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG12 HG21 ' A' ' 60' ' ' VAL . 75.0 t -64.95 -31.77 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -74.98 -30.44 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.45 -33.05 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' CG ' HD13 ' A' ' 32' ' ' LEU . 18.2 mmmt -98.31 -39.6 8.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.98 94.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.6 m -95.28 103.71 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.76 146.94 54.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 18.6 ttp-105 -59.89 -38.15 81.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.4 m -69.69 -35.24 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.32 -137.36 4.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.86 -175.41 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG21 HG12 ' A' ' 49' ' ' VAL . 19.3 t -93.36 147.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.478 ' HA ' HD13 ' A' ' 46' ' ' LEU . 1.4 m80 -127.78 -30.59 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -141.44 163.89 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 4.3 mm? -121.13 148.45 44.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . 63.3 m-85 -149.26 134.5 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.751 HG22 ' CE1' ' A' ' 83' ' ' TYR . 10.1 p -75.66 -174.67 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.1 mt -77.55 -9.28 58.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -95.54 -24.25 16.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 12.66 11.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 160.4 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 72' ' ' GLU . 6.5 tt -120.06 118.78 31.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.003 HG13 ' HB2' ' A' ' 76' ' ' GLU . 14.4 t -104.77 81.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 70' ' ' LEU . 22.5 mt-10 -57.52 -25.16 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.1 t -152.9 147.52 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.34 -20.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 1.003 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.2 mt-10 -103.97 -13.55 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 71' ' ' VAL . 25.8 mt -60.7 151.38 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 81' ' ' GLN . 6.0 tt0 -111.98 167.72 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 11.0 p-10 -94.46 103.67 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.53 24.84 34.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 24.5 tp60 -99.96 149.9 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.769 ' CD2' HD22 ' A' ' 100' ' ' LEU . 35.7 m-85 -90.73 117.8 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.751 ' CE1' HG22 ' A' ' 65' ' ' THR . 84.9 m-85 -114.13 176.2 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' TYR . 48.9 t -131.95 139.91 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.4 114.23 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.52 113.92 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.63 -141.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -83.41 40.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -134.77 171.23 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.11 146.64 45.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 69.0 t80 -64.61 106.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.491 ' CE ' ' ND2' ' A' ' 22' ' ' ASN . 38.4 mtmt -69.21 80.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -42.79 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 9.0 mt -141.45 151.43 60.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.552 0.691 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.02 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.754 ' HB2' HD22 ' A' ' 66' ' ' LEU . 90.2 m-85 -102.95 -32.55 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -53.87 -25.1 29.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 12.0 pt-20 -78.69 -41.45 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 25' ' ' LEU . 13.9 mt -56.4 -28.11 58.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.769 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.3 Cg_endo -69.66 166.45 27.44 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 36.3 m -124.59 138.47 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.403 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.5 m -105.78 109.15 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.62 HD13 HD22 ' A' ' 77' ' ' LEU . 18.4 pt -120.81 154.3 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 9.6 m-85 -105.14 130.84 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.704 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.1 mm? -105.83 157.63 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.732 HD11 HD21 ' A' ' 100' ' ' LEU . 68.0 mt -143.97 140.51 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -67.41 125.33 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.78 127.19 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.02 89.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -102.51 115.83 31.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 94' ' ' LEU . 3.8 mm? -114.96 23.0 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.9 mp -118.54 -42.85 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -86.73 137.51 33.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.57 178.6 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -136.2 109.59 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -67.72 104.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -122.12 137.08 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.0 tp -96.89 139.47 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 45' ' ' VAL . 18.0 mt -123.47 114.78 28.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 145.46 56.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -47.04 -53.86 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.5 ptpp? -45.4 -24.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.8 m -99.27 -41.0 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.1 -43.14 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 2.2 p30 -59.7 -40.74 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.74 95.89 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.477 ' CE3' ' N ' ' A' ' 74' ' ' GLY . 19.2 t-105 -58.43 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -71.73 -21.31 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.8 m170 -85.3 -33.16 22.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 49' ' ' VAL . 84.2 t -65.23 -40.24 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 61' ' ' HIS . 84.4 mt -68.26 -39.62 82.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -59.34 -30.28 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 38' ' ' THR . 41.0 mtp -91.25 -36.74 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 45' ' ' VAL . 24.9 t -59.26 -37.62 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.0 m -64.47 -33.8 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -56.57 -25.31 51.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -102.75 -40.93 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.22 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -82.68 100.41 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.22 135.21 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -47.44 -40.27 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -67.89 -30.93 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.01 -121.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.24 175.47 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG13 HD22 ' A' ' 46' ' ' LEU . 14.0 p -90.96 141.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -119.8 -18.74 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 63' ' ' LEU . 9.7 ptp180 -146.98 168.45 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.5 mm? -123.52 156.77 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 64.4 m-85 -150.57 131.22 13.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.609 HG22 ' CE2' ' A' ' 83' ' ' TYR . 68.2 p -74.92 176.25 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.05 -12.49 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.59 -11.9 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.42 -11.78 30.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.16 150.55 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 63' ' ' LEU . 7.6 tp -114.11 140.24 48.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.706 HG13 ' HB2' ' A' ' 76' ' ' GLU . 26.0 t -112.04 97.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.75 -8.36 53.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 14.8 t -163.23 146.02 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -51.67 -15.34 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.47 -24.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' HG13 ' A' ' 71' ' ' VAL . 11.6 mt-10 -92.07 -33.15 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 HD13 ' A' ' 17' ' ' ILE . 47.9 mt -41.72 133.82 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.8 tp10 -106.09 159.35 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 15' ' ' CYS . 22.2 t-20 -86.3 91.63 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.97 2.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 26.0 mt-30 -119.65 174.0 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 61.5 m-85 -111.24 144.65 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.609 ' CE2' HG22 ' A' ' 65' ' ' THR . 84.3 m-85 -148.1 159.96 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.5 t -115.0 137.89 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.81 109.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.11 128.41 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -90.35 -159.67 35.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -42.03 -25.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.9 OUTLIER -75.53 173.54 10.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -178.3 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.58 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 69.6 t80 -86.77 113.54 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' LYS . 32.8 mttp -89.86 79.55 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . 12.5 tttp -37.6 115.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 25' ' ' LEU . 22.4 mt -149.61 154.83 38.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.7 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.19 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.6 ' HB3' HD13 ' A' ' 20' ' ' ILE . 61.5 m-85 -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.64 -28.95 7.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG3' HD23 ' A' ' 99' ' ' LEU . 13.9 pt-20 -75.8 -41.81 51.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 25' ' ' LEU . 13.1 mt -58.45 -27.45 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 20' ' ' ILE . 4.1 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.9 Cg_endo -69.74 175.24 8.34 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -152.42 110.66 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.793 HG21 ' HE ' ' A' ' 31' ' ' ARG . 31.6 m -74.48 120.72 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.1 pt -127.15 160.62 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.657 ' C ' HD22 ' A' ' 19' ' ' LEU . 43.7 m-85 -110.45 138.44 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.4 mm? -114.07 151.05 33.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.1 mt -143.45 142.44 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -71.42 125.63 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -57.62 135.77 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.14 23.08 77.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -117.56 118.55 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.8 mm? -124.49 24.02 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 25' ' ' LEU . 13.9 mm -116.08 -46.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -89.36 146.04 35.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.56 -179.09 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -132.46 112.4 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.793 ' HE ' HG21 ' A' ' 16' ' ' THR . 56.8 ttt180 -66.76 91.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.8 tp -114.24 123.61 49.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.74 HD12 ' OG1' ' A' ' 16' ' ' THR . 6.6 tt -101.66 150.99 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 mt -119.86 125.74 27.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -34.44 -58.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -41.58 -49.39 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -71.17 -42.62 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -46.15 -23.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -77.49 -35.75 53.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.7 mp0 -98.63 111.27 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.7 t-105 -66.44 -35.5 80.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -41.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.01 -32.95 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 49' ' ' VAL . 93.4 t -63.72 -41.78 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.0 mt -69.5 -33.93 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -62.37 -35.09 78.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.79 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.8 ptm -89.37 -38.85 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 45' ' ' VAL . 19.4 t -53.98 -37.78 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.5 m -66.81 -36.49 82.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -51.99 -35.56 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG3' HD13 ' A' ' 32' ' ' LEU . 24.0 mmmt -90.65 -39.94 12.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 21' ' ' ALA . 32.1 mm -116.6 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -88.84 100.09 12.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 60' ' ' VAL . 46.6 mt -66.22 141.0 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -54.34 -39.9 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 m -67.25 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.37 -110.44 0.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.79 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 85' ' ' ALA . 42.5 t -91.14 144.0 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -123.7 -19.84 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -146.73 164.17 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 83' ' ' TYR . 3.7 mm? -119.13 146.42 45.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.467 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 45.7 m-85 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 83' ' ' TYR . 12.7 p -73.64 168.88 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 96' ' ' TYR . 6.0 mt -62.01 -20.1 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.34 -24.17 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.66 -2.26 24.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.91 152.54 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' LEU . 15.9 tp -108.87 135.39 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.846 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.9 t -106.09 83.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -54.17 -26.8 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ALA . 78.9 p -150.22 140.31 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.69 -20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.37 -23.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.731 0.3 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.846 ' HB2' HG13 ' A' ' 71' ' ' VAL . 25.1 mt-10 -90.48 -28.59 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' GLY . 63.1 mt -46.64 174.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.04 158.64 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 5.6 p-10 -80.27 108.68 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 35.97 6.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -122.19 171.63 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.746 ' CE2' HD22 ' A' ' 100' ' ' LEU . 14.6 m-85 -114.33 154.89 27.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.51 ' HB3' HD12 ' A' ' 63' ' ' LEU . 97.1 m-85 -157.82 129.57 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.611 HG21 ' CE2' ' A' ' 96' ' ' TYR . 99.9 t -84.85 137.1 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -90.2 121.12 31.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 91' ' ' PHE . 51.4 t -119.18 124.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.18 -145.51 17.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -56.54 -25.02 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -78.45 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -56.38 168.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 13.6 t80 -93.07 121.94 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -93.98 87.79 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.37 92.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.5 mt -120.82 154.82 57.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 104.98 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.727 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.7 m-85 -107.53 -29.01 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.662 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -19.51 32.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.4 -32.31 32.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 25' ' ' LEU . 7.8 mt -72.18 -23.16 61.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.31 9.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.8 m -136.97 137.53 39.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -100.27 114.99 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.84 146.04 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.642 ' C ' HD22 ' A' ' 19' ' ' LEU . 19.8 m-85 -95.79 133.41 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -108.82 145.39 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -133.64 131.88 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -67.17 117.97 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -50.61 132.72 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 78.66 11.14 85.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 120.07 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 94' ' ' LEU . 18.4 mt -125.22 -4.67 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.1 mp -94.95 -28.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.08 139.61 20.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -175.42 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.25 -179.14 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -134.75 102.68 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 ttp180 -64.88 99.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 52' ' ' LYS . 9.8 tp -118.22 129.85 55.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.1 tp -87.93 147.59 24.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -134.22 121.6 15.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 127.17 14.19 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.893 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.9 tmt_? -36.46 -58.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -35.16 -41.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 45' ' ' VAL . 29.1 m -77.92 -42.35 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.0 mp -45.7 -24.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mm-40 -100.5 121.28 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 8.8 t-105 -71.66 -32.44 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.76 -36.29 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.43 -41.19 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 41' ' ' GLN . 91.3 t -56.68 -56.84 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' A' ' 60' ' ' VAL . 87.7 mt -52.19 -41.01 62.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -48.63 -29.49 4.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.2 mtm -94.85 -31.3 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 HG21 ' A' ' 60' ' ' VAL . 67.9 t -63.38 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -67.25 -37.18 83.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.61 -29.95 64.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 32' ' ' LEU . 23.8 mmmt -95.92 -40.19 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 21' ' ' ALA . 44.8 mm -118.79 88.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -86.05 100.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.3 mp -65.31 140.78 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -53.7 -40.87 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 p -66.41 -32.18 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.03 -132.87 3.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.63 178.08 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 HG12 ' A' ' 49' ' ' VAL . 99.6 t -83.67 148.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -127.42 -31.7 2.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -149.24 166.58 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.2 mm? -119.66 148.79 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -142.73 136.67 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' CE2' ' A' ' 83' ' ' TYR . 62.3 p -82.32 165.29 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.12 -23.65 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -83.34 -12.19 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.01 55.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -71.54 152.96 42.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 63' ' ' LEU . 23.9 tp -103.88 144.25 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 76' ' ' GLU . 45.0 t -117.41 81.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -53.76 -20.8 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 7.4 t -161.3 143.64 12.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.559 ' HA2' HD12 ' A' ' 77' ' ' LEU . . . -39.24 -24.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -42.3 -31.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.948 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.6 mt-10 -87.19 -29.29 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 83' ' ' TYR . 86.8 mt -55.47 165.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' CB ' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -132.58 160.71 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 22.4 p-10 -82.46 97.57 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.11 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.458 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 8.3 mt-30 -117.83 171.53 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.4 m-85 -105.72 151.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' HD23 ' A' ' 77' ' ' LEU . 89.0 m-85 -156.83 137.35 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.39 139.67 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 60' ' ' VAL . . . -89.62 109.92 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 91' ' ' PHE . 98.2 t -112.03 120.48 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -97.63 -159.78 30.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' GLY . 2.6 ptm180 -37.28 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' GLY . 16.4 p30 -75.61 149.62 38.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -69.14 157.92 35.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HD1' HG21 ' A' ' 86' ' ' VAL . 70.0 t80 -67.41 150.54 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -120.79 107.9 13.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 99.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 23.6 mt -136.04 147.51 61.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 103.69 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 51.4 m-85 -103.02 -30.85 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.472 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -53.27 -17.61 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.98 -30.35 26.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 25' ' ' LEU . 6.4 mt -76.11 -17.12 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.42 21.62 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.6 m -124.56 124.52 42.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -89.9 114.43 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 78' ' ' GLU . 21.0 pt -119.8 153.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.678 ' C ' HD22 ' A' ' 19' ' ' LEU . 66.7 m-85 -105.23 133.31 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.694 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -109.84 159.82 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.3 mt -151.81 134.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 128.69 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.5 115.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.09 20.4 33.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.94 113.49 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.986 HD13 HD11 ' A' ' 99' ' ' LEU . 2.5 mm? -116.37 18.17 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.3 mp -110.08 -44.06 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -92.95 143.37 26.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.04 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 -177.73 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.0 m -133.15 101.57 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.94 97.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.96 128.67 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -97.27 141.05 30.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 39' ' ' LEU . 2.1 mt -124.7 135.41 26.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.75 153.72 68.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.394 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 4.8 tpt180 -69.3 1.12 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -96.02 -38.53 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.92 HG23 ' HB3' ' A' ' 44' ' ' HIS . 2.7 m -102.61 -46.64 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -47.04 -42.99 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 36' ' ' ARG . 68.5 m-20 -51.01 -35.73 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.0 mm-40 -84.38 179.81 7.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 9.8 t-105 -114.88 -61.53 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.33 -31.13 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.92 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.5 m170 -80.14 -23.39 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.2 t -80.47 -44.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' A' ' 42' ' ' TRP . 1.9 mm? -61.82 -26.62 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 35.9 tp60 -79.49 -19.44 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.573 ' SD ' HG21 ' A' ' 38' ' ' THR . 19.7 mtp -96.25 -41.07 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 46' ' ' LEU . 7.6 p -56.21 -47.79 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 49' ' ' VAL . 49.3 m -49.99 -42.67 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -48.67 -27.37 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -103.7 -40.66 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.9 mm -109.75 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -91.22 109.2 20.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 60' ' ' VAL . 69.7 mt -83.4 166.29 18.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.11 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.5 t -65.77 -27.75 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.93 -15.66 16.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.4 162.18 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' A' ' 55' ' ' LEU . 8.6 p -95.88 146.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.582 ' CD2' ' HG3' ' A' ' 88' ' ' ARG . 2.0 m80 -117.17 -26.49 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -146.43 155.09 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD23 HD11 ' A' ' 46' ' ' LEU . 2.2 mm? -109.62 157.49 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 58.8 m-85 -152.44 122.08 6.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.691 HG22 ' CD2' ' A' ' 83' ' ' TYR . 52.7 p -69.71 172.04 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.1 -23.78 64.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.55 -13.41 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.06 6.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -103.06 140.18 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.12 136.32 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 76' ' ' GLU . 38.6 t -107.89 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.26 -18.74 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 32.4 p -154.65 151.5 28.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.46 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -54.8 -12.09 3.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.463 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.88 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.737 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.9 mt-10 -93.56 -18.64 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.41 106.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.526 ' O ' HG22 ' A' ' 17' ' ' ILE . 12.8 tt0 -93.12 160.72 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -85.3 102.57 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.19 31.82 4.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -119.79 169.04 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 100' ' ' LEU . 41.7 m-85 -112.12 141.0 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.691 ' CD2' HG22 ' A' ' 65' ' ' THR . 89.4 m-85 -143.67 152.86 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 t -112.01 137.39 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -92.91 113.47 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.77 134.24 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.401 ' N ' HD13 ' A' ' 55' ' ' LEU . . . -75.85 -131.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 12.7 mtm105 -98.48 46.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -150.75 172.52 15.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -51.2 -176.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.5 t80 -110.45 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -73.59 81.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 18.9 tttm -55.17 106.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.552 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -131.2 153.67 81.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 106.09 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.53 ' HD1' HD12 ' A' ' 99' ' ' LEU . 77.1 m-85 -110.1 -29.3 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -43.27 -34.29 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 98' ' ' GLU . 9.1 mp0 -76.08 -38.72 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.986 HD11 HD13 ' A' ' 25' ' ' LEU . 23.6 mt -62.98 -27.6 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 171.24 14.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 17' ' ' ILE . 6.3 t -127.97 134.78 49.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -101.98 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG23 ' SG ' ' A' ' 15' ' ' CYS . 20.8 pt -121.24 150.45 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.577 ' C ' HD22 ' A' ' 19' ' ' LEU . 9.4 m-85 -99.34 134.25 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.592 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.5 mm? -109.17 154.14 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -143.41 145.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 114.48 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.49 133.9 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 -3.58 84.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 25' ' ' LEU . 4.4 t70 -102.33 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 99' ' ' LEU . 1.3 mm? -120.42 24.9 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.6 mp -118.49 -37.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -96.13 140.43 22.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.96 -175.24 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -141.3 110.23 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 20.2 ttp-105 -67.22 101.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.3 tp -115.23 140.52 49.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 tp -103.09 141.08 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' HD11 ' A' ' 39' ' ' LEU . 9.7 mt -130.48 118.9 18.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.8 125.83 12.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -31.72 -42.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -47.74 -50.86 24.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 42.0 m -68.95 -40.31 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.7 mp -46.76 -27.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.63 -38.27 90.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' VAL . 40.4 mm-40 -105.54 98.21 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' O ' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -49.44 -47.18 48.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -51.78 -45.28 63.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.433 ' HB3' HG23 ' A' ' 38' ' ' THR . 7.7 m170 -64.29 -23.56 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 46.4 t -73.41 -42.96 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' O ' ' A' ' 42' ' ' TRP . 1.8 mm? -69.22 -30.48 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 20.2 tp60 -62.08 -31.58 72.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.726 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.1 ptm -93.37 -36.62 12.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 45' ' ' VAL . 42.5 t -60.27 -32.05 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.415 ' OG1' HG23 ' A' ' 60' ' ' VAL . 64.6 m -69.2 -31.31 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.16 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -96.28 -39.87 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -120.01 87.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.4 m -88.03 108.32 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 143.27 42.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -59.45 -21.4 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.2 p -79.04 -31.05 44.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.74 -111.43 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.54 -179.5 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.582 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 2.9 t -91.84 143.12 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.58 -28.88 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -143.04 164.39 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.72 157.71 26.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 53.1 m-85 -150.06 124.81 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.859 HG22 ' CE2' ' A' ' 83' ' ' TYR . 44.1 p -75.99 167.95 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.86 -18.99 65.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -82.21 -16.98 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.64 13.86 28.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.9 tptm -84.45 152.62 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 8.8 tp -106.9 135.51 48.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 76' ' ' GLU . 1.9 t -115.71 101.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.15 -2.99 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 71' ' ' VAL . 4.7 m -158.49 172.35 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.07 26.1 3.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.05 -17.26 17.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.973 ' HB2' HG13 ' A' ' 71' ' ' VAL . 16.4 mt-10 -107.27 16.98 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.75 -179.03 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -154.07 158.73 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -93.56 107.93 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.3 42.03 5.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -124.36 173.17 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE2' HD22 ' A' ' 100' ' ' LEU . 51.1 m-85 -113.9 132.82 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HG22 ' A' ' 65' ' ' THR . 57.1 m-85 -130.32 173.51 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -129.09 135.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 60' ' ' VAL . . . -89.96 115.87 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.99 119.46 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.83 -129.32 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -85.46 28.15 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.52 163.85 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.09 144.44 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 88.8 t80 -63.99 120.83 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -93.18 76.16 4.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 39.7 tptt -40.9 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 38.5 mt -136.24 154.98 77.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 105.42 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 44.2 m-85 -100.56 -31.65 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -46.28 -29.5 3.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HG3' HD23 ' A' ' 99' ' ' LEU . 15.0 pt-20 -76.6 -41.52 45.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD11 HD13 ' A' ' 25' ' ' LEU . 11.2 mt -60.47 -26.82 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.607 HD22 ' CE2' ' A' ' 82' ' ' PHE . 7.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.7 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.642 0.734 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.564 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.7 175.55 7.91 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 33' ' ' LEU . 3.9 t -137.49 139.61 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 33' ' ' LEU . 7.9 m -103.69 115.5 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 34' ' ' ILE . 17.0 pt -124.48 150.78 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 14.5 m-85 -95.03 147.91 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -124.68 131.17 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.589 ' HB ' HG22 ' A' ' 84' ' ' VAL . 79.7 mt -123.33 140.8 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -68.09 131.09 44.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 30.6 t-20 -57.17 133.43 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 66.7 28.87 73.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -119.32 128.21 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.058 HD11 HD22 ' A' ' 94' ' ' LEU . 5.5 mt -134.97 4.75 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -97.79 -33.47 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.98 147.69 34.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -166.45 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.35 -175.67 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -135.0 102.38 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -67.49 102.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.64 123.41 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.826 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.8 tp -82.8 148.04 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 17' ' ' ILE . 6.8 mt -124.94 126.37 25.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HE3' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.962 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -46.61 -29.94 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.41 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 44' ' ' HIS . 3.3 m -83.78 -32.81 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 36' ' ' ARG . 18.1 mt -48.51 -33.94 10.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.68 -32.44 74.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -106.64 111.4 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.709 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 31.9 t-105 -61.26 -45.09 95.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.88 -48.21 70.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.494 ' CB ' HG23 ' A' ' 38' ' ' THR . 17.5 m170 -55.6 -38.96 70.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 34' ' ' ILE . 93.3 t -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 2.8 mm? -60.98 -39.54 90.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -32.48 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.42 ' HE1' HG23 ' A' ' 34' ' ' ILE . 45.7 mtp -88.61 -24.56 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 t -75.5 -36.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' HG23 ' A' ' 60' ' ' VAL . 23.7 m -65.85 -39.86 91.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -52.87 -32.36 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -92.23 -45.07 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 21' ' ' ALA . 45.1 mm -114.38 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -90.67 100.78 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.1 mp -69.36 157.58 36.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -68.81 -34.52 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 p -68.45 -35.56 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.96 -150.5 22.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.29 164.45 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG23 ' OG1' ' A' ' 50' ' ' THR . 11.8 t -86.82 146.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.57 -32.68 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -142.52 -176.28 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.709 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 2.7 mp -139.08 159.45 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.889 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 37.3 m-85 -148.32 130.8 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 69' ' ' LYS . 40.5 p -66.23 176.5 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.6 mt -71.71 -14.5 62.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -94.51 -19.06 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 114.05 5.41 21.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 65' ' ' THR . 27.6 tptt -62.72 159.58 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.889 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.9 tm? -114.92 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.711 HG22 ' OE1' ' A' ' 76' ' ' GLU . 26.2 t -123.46 119.18 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.808 ' HG3' HD11 ' A' ' 70' ' ' LEU . 10.7 mp0 -105.19 8.86 34.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.574 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.5 t -167.69 157.95 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -64.36 -2.24 6.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -28.29 68.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.711 ' OE1' HG22 ' A' ' 71' ' ' VAL . 15.5 mt-10 -93.06 11.98 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 90.3 mt -97.4 136.44 37.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.6 tt0 -120.8 166.61 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 13.3 p-10 -86.58 98.63 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.76 24.66 6.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.99 169.41 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.678 ' CD1' HD13 ' A' ' 100' ' ' LEU . 58.8 m-85 -114.07 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -150.5 127.25 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG22 ' HB ' ' A' ' 20' ' ' ILE . 98.0 t -80.85 138.0 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.33 107.92 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 64' ' ' TYR . 44.7 t -97.44 136.26 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -105.53 -122.83 5.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -91.63 42.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -146.69 166.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.11 158.2 29.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 70.2 t80 -74.33 117.52 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' LEU . 21.8 mtpt -78.7 95.27 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HE2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -47.57 88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 25' ' ' LEU . 13.8 mt -134.07 152.13 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 103.93 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.256 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.554 ' HB2' HD22 ' A' ' 66' ' ' LEU . 85.2 m-85 -97.95 -37.28 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -55.39 -18.8 15.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.13 -37.36 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' LEU . 11.6 mt -64.75 -21.05 66.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.678 HD13 ' CD1' ' A' ' 82' ' ' PHE . 1.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.434 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 19.9 tp10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 54.0 Cg_endo -69.76 174.99 8.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.14 139.4 37.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.451 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 14.3 m -106.36 117.34 33.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 pt -127.5 156.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 89.2 m-85 -103.01 131.06 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.684 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.2 mm? -108.45 153.0 23.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.1 mt -142.68 144.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.4 121.5 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' CG ' HG22 ' A' ' 86' ' ' VAL . 39.3 t30 -56.89 130.8 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 92' ' ' LYS . . . 76.99 7.99 86.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.715 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.4 t70 -114.28 114.0 25.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 24' ' ' ASP . 2.9 mm? -121.12 24.42 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.16 -34.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -101.64 153.83 37.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.93 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.45 177.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -130.33 104.28 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.56 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 13.5 ttp180 -67.16 98.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' HB3' HD23 ' A' ' 19' ' ' LEU . 6.8 tp -114.09 132.81 55.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.5 tp -94.87 138.51 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' O ' HD11 ' A' ' 39' ' ' LEU . 7.0 mt -120.42 118.9 30.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.75 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tmt_? -32.02 -41.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.73 -50.45 44.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 45' ' ' VAL . 99.1 m -69.42 -40.21 77.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -45.47 -29.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -72.63 -35.63 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' HIS . 1.6 mp0 -100.81 75.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CE2' HD21 ' A' ' 46' ' ' LEU . 30.6 t-105 -35.85 -45.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -55.62 -45.16 77.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLN . 20.6 m170 -61.31 -29.21 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 38' ' ' THR . 74.2 t -69.03 -46.81 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CE2' ' A' ' 42' ' ' TRP . 3.1 mm? -63.89 -28.3 69.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.06 -22.64 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.545 ' SD ' HG21 ' A' ' 38' ' ' THR . 23.9 mtp -95.56 -49.25 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.919 ' CG1' HG11 ' A' ' 60' ' ' VAL . 1.5 p -48.22 -36.68 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.86 ' OG1' HG12 ' A' ' 60' ' ' VAL . 84.3 m -59.3 -44.57 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.44 -28.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.815 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.6 mm -112.29 96.92 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -99.35 115.86 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -91.66 141.73 28.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -52.78 -36.51 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -71.01 -29.91 65.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.04 177.18 16.89 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.61 164.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.919 HG11 ' CG1' ' A' ' 49' ' ' VAL . 8.2 p -82.67 148.86 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.62 -20.55 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -142.98 169.72 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.869 HD13 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -125.42 155.58 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.869 ' H ' HD13 ' A' ' 63' ' ' LEU . 36.7 m-85 -144.72 167.72 21.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 ' CD2' ' A' ' 83' ' ' TYR . 76.9 p -117.19 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.08 -18.28 58.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -86.83 -14.06 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.78 25.69 8.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 20.5 tptt -100.34 147.8 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 71' ' ' VAL . 4.1 tp -103.74 126.82 51.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.754 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.2 t -98.26 112.14 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.83 -15.43 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.5 p -141.64 168.76 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 28.81 2.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.57 -18.03 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.754 ' HB2' HG13 ' A' ' 71' ' ' VAL . 18.2 mt-10 -94.91 21.76 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.35 176.39 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.37 175.36 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -105.78 107.02 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.68 20.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -108.78 169.03 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CE1' HD13 ' A' ' 100' ' ' LEU . 60.6 m-85 -114.84 149.34 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.599 ' CD2' HG22 ' A' ' 65' ' ' THR . 15.8 m-85 -145.55 -179.32 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.8 t -136.87 132.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.815 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -89.6 112.08 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 22' ' ' ASN . 45.9 t -103.97 131.61 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.26 -142.1 12.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.21 -10.44 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -91.03 171.7 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 170.91 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 13.8 t80 -82.42 118.23 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -85.27 96.59 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 94' ' ' LEU . 2.5 tmtp? -70.38 93.36 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.6 mm? -128.2 157.5 74.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.25 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 69.0 m-85 -97.74 -36.03 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.47 -28.93 6.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 7.3 pt-20 -73.44 -42.73 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 25' ' ' LEU . 18.0 mt -58.58 -27.01 64.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.685 HD13 ' CE1' ' A' ' 82' ' ' PHE . 1.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 20.5 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.8 Cg_endo -69.75 171.1 15.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' C ' HD12 ' A' ' 33' ' ' LEU . 21.5 m -130.8 133.03 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.51 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 m -95.29 107.73 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.2 pt -112.3 160.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.4 m-85 -106.09 143.77 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.732 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.1 mm? -117.14 155.92 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.592 HG21 ' CD1' ' A' ' 96' ' ' TYR . 72.2 mt -147.79 132.29 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . . . -64.71 115.0 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.76 123.95 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.3 37.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' HD22 ' A' ' 25' ' ' LEU . 19.8 t0 -77.11 112.04 13.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD11 ' A' ' 99' ' ' LEU . 3.9 mm? -120.13 27.89 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.0 mm -118.62 -40.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -98.75 149.94 36.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -166.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.09 -175.52 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -131.95 117.39 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 ttm105 -75.15 111.8 10.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 48' ' ' MET . 3.2 tp -133.72 142.69 48.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 15' ' ' CYS . 9.0 tp -105.1 142.95 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.3 mt -125.92 116.24 24.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.749 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 144.01 52.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -43.98 -49.11 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -45.97 -39.69 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 45' ' ' VAL . 54.4 m -83.29 -44.65 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -46.1 -31.39 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.4 mm100 -96.98 118.35 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 22.3 t-105 -67.83 -47.66 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.86 -41.72 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.419 ' CE1' HE21 ' A' ' 41' ' ' GLN . 3.5 m80 -63.41 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -70.0 -51.0 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.2 mm? -60.66 -25.21 66.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 10.0 tp60 -71.14 -30.41 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.2 ptm -93.05 -34.89 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' VAL . 54.5 t -58.57 -44.85 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.0 m -53.42 -40.61 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.11 -34.84 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -91.46 -45.9 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 55' ' ' LEU . 51.6 mm -115.19 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -102.02 99.74 9.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.4 mp -68.84 133.14 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -45.29 -37.23 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -67.63 -32.02 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.25 -157.78 27.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.425 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -71.63 179.41 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 t -86.97 139.64 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -126.41 -26.16 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.3 mmt85 -135.7 153.44 51.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -122.7 141.45 51.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 51.7 m-85 -145.33 141.39 28.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 83' ' ' TYR . 33.7 p -88.75 163.96 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.04 -22.41 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.42 -30.06 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.34 5.58 22.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 2.2 tmtt? -74.83 154.46 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 3.1 tm? -100.75 133.35 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG13 ' HB2' ' A' ' 76' ' ' GLU . 11.7 t -107.01 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HG3' HD12 ' A' ' 70' ' ' LEU . 30.1 mt-10 -63.66 -15.82 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.568 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 t -157.23 150.27 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -55.63 -11.5 4.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.9 -23.48 31.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.962 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.3 mt-10 -95.71 23.63 6.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 42.6 mt -106.68 117.27 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 tp10 -90.67 155.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.49 103.97 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.55 35.71 3.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.11 175.81 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.719 ' CE2' HD22 ' A' ' 100' ' ' LEU . 95.9 m-85 -114.24 148.51 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.71 ' CD2' HG22 ' A' ' 65' ' ' THR . 29.2 m-85 -150.41 136.11 18.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.33 135.3 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' HD22 ' A' ' 63' ' ' LEU . . . -90.85 111.67 23.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -99.65 124.86 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.1 -144.57 10.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -78.8 48.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -155.68 148.05 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 148.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 24.4 t80 -72.78 137.44 45.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -107.11 81.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 22.0 ttmt -52.76 108.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.802 HD13 ' CD2' ' A' ' 25' ' ' LEU . 19.3 mt -132.65 154.61 81.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 20' ' ' ILE . 90.4 m-85 -102.58 -30.01 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -48.6 -25.21 4.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.17 -34.73 42.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 25' ' ' LEU . 11.9 mt -70.4 -27.33 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' CE2' ' A' ' 82' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.653 0.739 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.64 37.5 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -136.72 125.18 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.433 HG21 ' HD3' ' A' ' 31' ' ' ARG . 7.0 m -87.76 113.34 23.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.5 pt -125.58 152.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.669 ' C ' HD22 ' A' ' 19' ' ' LEU . 80.4 m-85 -96.56 141.29 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -118.57 155.75 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -147.15 137.19 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -64.37 122.85 17.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 5.8 t30 -48.67 133.89 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.782 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 60.17 31.97 74.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 8.6 t0 -119.39 113.15 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.814 HD21 ' HB3' ' A' ' 94' ' ' LEU . 6.3 mt -115.92 2.71 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mm -97.21 -33.35 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -103.41 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.22 178.26 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -141.35 111.19 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 16' ' ' THR . 26.3 ttm180 -57.67 102.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.4 tm? -113.59 117.95 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.5 tp -88.49 141.75 28.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 45' ' ' VAL . 37.7 mt -129.48 116.1 18.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.671 0.748 . . . . 0.0 111.122 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.9 Cg_endo -69.79 138.08 36.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 39' ' ' LEU . 5.2 tpt180 -37.28 -49.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -47.49 -48.69 27.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.2 m -71.95 -33.75 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 36' ' ' ARG . 9.1 mt -60.58 -12.65 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.02 -17.66 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -118.39 148.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CE2' HD21 ' A' ' 46' ' ' LEU . 1.9 t-105 -98.75 -40.57 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.89 -15.11 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -93.99 -36.76 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 46' ' ' LEU . 2.8 p -74.27 -44.62 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.512 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -60.78 -23.59 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 35.1 tp60 -83.17 -21.05 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 mtm -94.38 -37.9 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.625 HG23 ' HG ' ' A' ' 19' ' ' LEU . 4.8 p -57.91 -51.76 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.553 ' N ' HG13 ' A' ' 49' ' ' VAL . 67.6 m -42.56 -48.31 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 40.8 mt-10 -36.76 -41.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 7.2 mptt -84.25 -45.4 12.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HA ' ' A' ' 21' ' ' ALA . 33.4 mm -111.96 96.53 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -96.04 99.8 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 55' ' ' LEU . 8.0 mp -67.31 138.03 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -51.53 -38.77 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.5 p -67.43 -26.98 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.99 -109.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.09 175.2 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 85' ' ' ALA . 7.2 p -93.11 148.48 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.638 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -125.44 -23.19 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.904 ' O ' HD22 ' A' ' 63' ' ' LEU . 1.7 mtp180 -128.26 -179.16 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.904 HD22 ' O ' ' A' ' 62' ' ' ARG . 3.9 mm? -138.11 137.77 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CE1' HD13 ' A' ' 70' ' ' LEU . 11.8 m-85 -138.53 139.85 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.597 HG22 ' CD2' ' A' ' 83' ' ' TYR . 28.8 p -92.75 165.92 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.04 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.82 -18.31 62.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.52 22.42 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -99.15 144.22 28.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 64' ' ' TYR . 13.9 tp -97.69 142.94 28.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.966 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.5 t -109.48 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.06 -21.31 56.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 71' ' ' VAL . 90.7 p -146.08 175.89 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.22 29.3 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -18.81 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.966 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -98.13 25.75 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -101.44 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 17' ' ' ILE . 2.3 tp10 -158.45 158.98 35.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -85.94 127.63 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.52 55.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -120.56 170.15 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 100' ' ' LEU . 73.0 m-85 -110.21 145.82 36.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CD2' HG22 ' A' ' 65' ' ' THR . 94.7 m-85 -147.56 123.13 10.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 60.0 t -81.66 131.85 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.52 107.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 91' ' ' PHE . 34.9 t -97.35 118.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.84 -153.82 24.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.638 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 4.7 mmp_? -51.6 -24.93 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.1 163.15 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 170.55 12.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.803 ' HB2' HG21 ' A' ' 86' ' ' VAL . 19.0 t80 -89.52 105.77 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -75.75 80.35 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 5.6 tmtm? -40.13 113.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.814 ' HB3' HD21 ' A' ' 25' ' ' LEU . 59.9 mt -145.63 155.56 52.79 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 88.6 m-85 -102.21 -28.25 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -55.09 -17.61 10.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.96 -28.75 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 96' ' ' TYR . 1.7 mt -76.13 -16.56 59.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 82' ' ' PHE . 7.1 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.634 0.73 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.469 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.73 165.1 32.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 m -137.77 125.49 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 4.7 m -91.04 102.8 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.0 pt -113.31 146.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.702 ' C ' HD22 ' A' ' 19' ' ' LEU . 94.5 m-85 -94.68 141.23 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.8 mm? -118.21 155.49 30.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -144.65 137.34 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.77 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.58 ' ND2' HG22 ' A' ' 86' ' ' VAL . 35.6 t-20 -63.59 130.2 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 8.88 85.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.488 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -110.9 114.52 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.904 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -121.11 20.44 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.3 mp -112.85 -40.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -93.86 148.04 34.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -175.09 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -134.87 101.1 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -58.62 117.92 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.06 130.18 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -97.21 139.76 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mt -125.79 126.6 24.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 144.74 55.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -52.02 -24.58 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -72.68 -28.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.7 m -98.08 -22.9 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.09 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.72 -38.88 77.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -89.47 119.28 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.444 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 36.2 t-105 -74.65 -26.13 59.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.9 -32.03 65.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.4 m170 -71.66 -30.65 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.77 -45.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -90.96 -30.63 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mtm -89.19 -25.93 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.8 p -68.99 -33.25 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.5 m -64.0 -43.29 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -49.23 -32.47 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -92.93 -44.63 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.4 mm -110.14 100.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.8 m -93.51 101.08 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.63 136.46 51.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -54.78 -28.3 47.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 p -82.04 -26.76 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.8 -134.28 4.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.5 -178.7 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.504 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 71.6 t -88.65 143.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -124.2 -23.29 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -154.83 157.74 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.66 156.91 21.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -151.65 129.19 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -73.59 -179.25 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.6 mt -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -89.49 -13.14 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.41 9.1 42.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -77.33 157.84 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 tp -114.53 124.93 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.916 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.1 t -99.33 87.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -4.93 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.2 t -165.66 150.55 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.98 -10.3 6.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.65 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.916 ' HB2' HG13 ' A' ' 71' ' ' VAL . 4.6 mt-10 -98.85 -17.7 18.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 83' ' ' TYR . 22.7 mt -58.25 165.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 17' ' ' ILE . 6.2 tp10 -141.49 162.57 35.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -93.18 118.51 31.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.95 13.6 58.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -105.49 -179.46 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.813 ' CE2' HD22 ' A' ' 100' ' ' LEU . 11.0 m-85 -120.99 151.18 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.428 ' CE2' HD23 ' A' ' 77' ' ' LEU . 78.9 m-85 -150.28 130.71 13.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 96' ' ' TYR . 58.9 t -85.32 134.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.87 118.53 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.58 HG22 ' ND2' ' A' ' 22' ' ' ASN . 39.5 t -115.09 130.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.42 -124.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -98.9 45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -150.15 136.8 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -36.22 152.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.1 t80 -80.39 122.33 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -79.5 85.68 5.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tmtt? -46.6 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 43.9 mt -143.16 153.41 59.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.05 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.686 ' HB2' HD22 ' A' ' 66' ' ' LEU . 87.4 m-85 -105.73 -32.31 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.657 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -60.35 -11.67 21.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.14 -31.64 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 25' ' ' LEU . 8.4 mt -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.813 HD22 ' CE2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.74 169.61 18.49 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 t -137.2 133.93 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.557 HG21 ' HE ' ' A' ' 31' ' ' ARG . 7.9 m -101.46 115.86 31.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 HD21 ' A' ' 19' ' ' LEU . 17.5 pt -122.93 154.0 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.812 ' C ' HD22 ' A' ' 19' ' ' LEU . 86.3 m-85 -99.66 143.24 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -125.07 151.13 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 100' ' ' LEU . 76.3 mt -140.45 153.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -81.43 133.19 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 86' ' ' VAL . 47.3 t30 -66.93 130.46 43.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.54 15.31 81.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -113.42 117.26 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.8 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.4 mm? -121.53 26.23 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -119.31 -40.27 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -97.29 136.96 21.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.76 2.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -78.53 175.42 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -130.93 123.24 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 16' ' ' THR . 10.4 ttt180 -73.26 117.64 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -132.37 135.51 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.4 tp -101.55 139.56 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 38' ' ' THR . 8.5 mt -125.65 117.98 24.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.8 139.35 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 7.4 tpt180 -37.24 -41.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -51.65 -46.31 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -74.25 -39.99 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -51.86 -34.35 40.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.51 -24.83 67.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -115.21 123.89 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.459 ' NE1' HD21 ' A' ' 46' ' ' LEU . 17.6 t-105 -74.4 -39.8 62.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.38 -44.51 88.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.632 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.2 m170 -55.73 -40.95 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.759 ' O ' HG12 ' A' ' 49' ' ' VAL . 48.2 t -62.85 -61.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.482 HD11 HD23 ' A' ' 63' ' ' LEU . 2.1 mm? -47.59 -23.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -85.38 -29.79 24.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' VAL . 8.6 mtm -88.26 -52.13 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.759 HG12 ' O ' ' A' ' 45' ' ' VAL . 2.1 p -46.46 -45.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.582 ' OG1' HG12 ' A' ' 60' ' ' VAL . 55.0 m -48.78 -55.15 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' THR . 25.9 mt-10 -38.52 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -41.81 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.94 97.09 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -93.76 103.88 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.31 156.34 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -62.69 -32.98 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -74.01 -29.22 61.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.55 -110.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.9 164.12 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.752 HG21 ' HB1' ' A' ' 85' ' ' ALA . 13.8 p -90.29 144.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -25.64 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.476 ' O ' HD22 ' A' ' 63' ' ' LEU . 33.3 mtm180 -132.08 163.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 46' ' ' LEU . 4.1 mm? -122.87 145.1 48.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 57.8 m-85 -142.53 129.32 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 83' ' ' TYR . 6.9 p -68.71 177.44 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 97' ' ' GLY . 5.9 mt -72.86 -16.54 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.9 -25.63 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.37 23.42 5.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 4.2 tmtt? -89.7 153.6 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 tm? -102.87 132.48 49.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.951 HG13 ' HB2' ' A' ' 76' ' ' GLU . 5.9 t -112.92 85.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.67 -24.31 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.732 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -148.64 158.88 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -63.74 -3.4 7.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.57 -24.8 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.951 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.4 mt-10 -93.26 19.11 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -97.05 161.43 13.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 81' ' ' GLN . 2.6 tt0 -142.38 156.72 45.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 6.0 p30 -71.42 101.67 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.45 41.09 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 40.7 mm-40 -116.87 170.03 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.847 ' CE2' HD22 ' A' ' 100' ' ' LEU . 48.8 m-85 -120.85 140.78 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CD2' HG22 ' A' ' 65' ' ' THR . 80.7 m-85 -146.76 128.45 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.12 137.71 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -92.26 119.68 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.615 HG22 ' ND2' ' A' ' 22' ' ' ASN . 45.7 t -113.48 129.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.3 -149.3 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -79.81 44.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.48 -177.24 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 150.8 39.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 18.4 t80 -80.98 110.1 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -73.38 85.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.15 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 25' ' ' LEU . 21.9 mt -133.64 150.61 75.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.428 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.74 110.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 79.3 m-85 -114.13 -30.39 6.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.3 -19.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 98' ' ' GLU . 12.7 mp0 -85.56 -37.67 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 25' ' ' LEU . 16.2 mt -64.23 -24.4 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.847 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 45.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.593 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.87 170.55 16.45 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' C ' HD12 ' A' ' 33' ' ' LEU . 7.0 m -137.23 135.92 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.44 HG21 ' HE ' ' A' ' 31' ' ' ARG . 20.9 m -98.04 125.85 43.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 34' ' ' ILE . 24.2 pt -125.94 167.73 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.83 130.99 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.942 HD13 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -125.86 150.08 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.617 HG22 ' N ' ' A' ' 21' ' ' ALA . 42.1 mt -132.25 164.18 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.617 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -89.99 115.99 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.1 p-10 -52.19 118.09 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.05 -19.07 50.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.98 115.8 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 99' ' ' LEU . 1.4 mm? -118.42 24.22 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.4 mp -117.46 -46.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -95.76 142.33 24.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.36 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.07 -178.84 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.2 m -125.02 97.27 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HE ' HG21 ' A' ' 16' ' ' THR . 55.0 ttt180 -52.87 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 tp -119.62 130.02 54.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -87.1 150.54 23.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 17' ' ' ILE . 8.2 mt -131.94 119.38 16.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 111.145 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.89 49.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -50.25 -26.4 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.3 tmtp? -70.0 -31.92 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.546 HG21 ' SD ' ' A' ' 48' ' ' MET . 93.6 m -89.35 -34.45 16.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.43 -24.39 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 24.4 p30 -79.14 -36.65 40.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 27.0 mm-40 -98.01 121.72 40.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.687 ' O ' HD23 ' A' ' 46' ' ' LEU . 10.2 t-105 -75.42 -27.49 59.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -81.04 -9.37 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.444 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.5 m170 -95.95 -31.51 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.854 HG13 HD22 ' A' ' 46' ' ' LEU . 2.8 p -80.96 -36.75 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.854 HD22 HG13 ' A' ' 45' ' ' VAL . 1.1 mm? -74.17 -13.25 60.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 42.2 tp60 -90.08 -22.56 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 38' ' ' THR . 12.9 ptm -96.27 -29.42 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.942 HG23 HD13 ' A' ' 19' ' ' LEU . 7.3 p -65.24 -44.16 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 49' ' ' VAL . 55.3 m -52.29 -45.51 65.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -52.17 -25.71 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -101.31 -30.23 11.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -121.38 86.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.2 m -84.44 104.5 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.52 162.36 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 14.5 ttp-105 -67.27 -44.54 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.51 -27.93 68.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.86 -117.99 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.23 166.53 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG13 HD12 ' A' ' 46' ' ' LEU . 12.5 p -86.86 154.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' HG22 ' A' ' 60' ' ' VAL . 2.5 m80 -132.27 -32.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -129.48 166.95 18.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.0 mm? -121.03 153.84 36.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 42.0 m-85 -152.08 130.67 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.8 p -74.1 -178.18 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.8 mt -75.27 -15.3 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -91.05 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.98 19.12 9.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -75.8 162.1 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 72' ' ' GLU . 2.7 tp -118.16 123.92 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.985 HG13 ' HB2' ' A' ' 76' ' ' GLU . 2.6 t -110.41 81.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' HG3' HD21 ' A' ' 70' ' ' LEU . 43.9 mt-10 -66.36 -25.48 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.768 ' O ' HG12 ' A' ' 71' ' ' VAL . 19.1 t -134.16 170.21 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.37 20.71 6.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -101.59 23.8 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.84 165.29 12.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -151.63 169.28 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.63 131.85 34.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.2 29.68 75.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.623 ' NE2' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -101.13 147.02 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.732 ' CE2' HD22 ' A' ' 100' ' ' LEU . 69.4 m-85 -97.92 131.9 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE1' ' NE2' ' A' ' 81' ' ' GLN . 80.2 m-85 -130.67 175.23 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' TYR . 98.9 t -129.27 130.32 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.59 108.36 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 91' ' ' PHE . 53.1 t -104.41 129.01 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.86 -150.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 58.9 mtt-85 -76.41 47.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.47 -178.54 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -75.49 146.72 40.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.9 t80 -79.86 99.41 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -67.13 77.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.2 ttpm? -42.82 120.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.8 mt -148.26 155.36 42.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 95.9 m-85 -100.71 -35.06 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.542 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.93 -17.4 1.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.544 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.07 -32.68 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 25' ' ' LEU . 9.3 mt -72.06 -23.95 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 82' ' ' PHE . 5.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.805 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.76 164.68 33.64 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 17' ' ' ILE . 42.6 t -134.97 91.71 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.8 m -61.69 106.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 15' ' ' CYS . 15.8 pt -119.32 150.69 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.766 ' C ' HD22 ' A' ' 19' ' ' LEU . 26.5 m-85 -102.28 145.67 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -119.69 153.12 36.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.21 148.22 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -80.78 121.18 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.24 116.88 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.34 -16.7 55.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 25' ' ' LEU . 3.4 t0 -87.66 113.39 23.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.947 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -120.73 28.56 7.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.5 mm -118.39 -38.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.7 145.57 30.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.52 174.62 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -127.48 96.46 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 27.1 ttp180 -49.36 105.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.2 tp -122.14 117.52 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.092 HD23 ' N ' ' A' ' 34' ' ' ILE . 5.7 tt -89.33 148.22 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.092 ' N ' HD23 ' A' ' 33' ' ' LEU . 26.6 mt -133.03 130.47 21.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.76 129.26 17.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' PRO . 4.9 tpt180 -36.22 -38.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 1.3 tmmt? -51.67 -47.92 63.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 HG22 ' A' ' 45' ' ' VAL . 5.6 m -68.11 -42.72 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.43 HD21 ' HB ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -45.81 -39.7 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -46.61 -34.83 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -106.09 166.74 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 15.6 t-105 -110.84 -34.91 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.16 -35.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -69.23 -40.21 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 38' ' ' THR . 80.1 t -58.08 -58.8 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.573 HD22 HG22 ' A' ' 60' ' ' VAL . 49.6 mt -50.57 -39.12 48.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -50.89 -30.08 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' ' 34' ' ' ILE . 24.9 mtm -92.4 -33.82 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG11 ' A' ' 60' ' ' VAL . 40.4 t -60.78 -38.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.543 ' OG1' HG12 ' A' ' 60' ' ' VAL . 93.1 m -66.96 -37.95 85.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.63 -32.01 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 32' ' ' LEU . 61.9 mmtt -96.16 -43.58 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 21' ' ' ALA . 39.8 mm -115.99 97.86 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.8 m -98.44 101.71 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD13 ' H ' ' A' ' 87' ' ' GLY . 16.3 mt -69.39 138.87 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -47.13 -40.5 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -65.68 -31.21 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.73 -142.55 9.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.03 178.25 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.573 HG22 HD22 ' A' ' 46' ' ' LEU . 2.1 p -95.29 126.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.17 -29.52 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -136.24 158.7 43.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 46' ' ' LEU . 3.9 mm? -115.64 148.09 40.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -140.18 126.57 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -75.54 166.47 23.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.97 -28.66 62.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -77.89 -17.25 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 4.8 47.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.55 149.44 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 71' ' ' VAL . 17.0 tp -98.54 144.12 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 76' ' ' GLU . 67.9 t -116.64 84.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -56.84 -23.29 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ALA . 29.6 m -153.18 142.07 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.531 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.76 -21.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -43.34 -22.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.729 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.5 mt-10 -89.76 -32.59 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 83' ' ' TYR . 79.5 mt -46.51 164.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' N ' ' OH ' ' A' ' 83' ' ' TYR . 20.7 tt0 -147.34 160.19 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.57 121.02 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.56 39.32 25.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -122.52 168.31 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CE2' HD22 ' A' ' 100' ' ' LEU . 59.8 m-85 -112.38 144.5 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.585 ' CE2' HD23 ' A' ' 77' ' ' LEU . 53.9 m-85 -145.64 139.18 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.603 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.6 t -98.83 140.36 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' HB1' ' HB ' ' A' ' 60' ' ' VAL . . . -89.51 128.57 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.6 t -121.19 115.5 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 55' ' ' LEU . . . -74.75 -143.64 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -83.61 44.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.21 153.86 40.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 157.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 25.1 t80 -86.28 125.72 33.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -90.81 87.48 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -51.89 106.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.813 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.2 mt -134.05 153.34 79.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.92 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.603 ' CE2' HG21 ' A' ' 84' ' ' VAL . 62.4 m-85 -99.7 -32.57 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -51.81 -26.29 17.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.35 -37.29 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.947 HD11 HD13 ' A' ' 25' ' ' LEU . 16.9 mt -66.47 -28.86 68.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.739 HD22 ' CE2' ' A' ' 82' ' ' PHE . 24.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.81 142.77 48.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.649 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.7 m -116.58 145.49 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -105.77 113.07 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 pt -120.78 155.65 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.851 ' C ' HD22 ' A' ' 19' ' ' LEU . 33.5 m-85 -100.4 151.82 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -124.07 153.76 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.2 mt -147.68 131.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -59.29 129.42 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -59.69 116.1 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 85.6 29.64 26.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.03 110.33 16.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 94' ' ' LEU . 13.2 mt -110.65 -1.71 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.97 -31.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -99.47 137.16 20.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.665 2.244 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -89.34 179.84 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -136.17 116.05 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 19.5 ttp-105 -73.45 112.67 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.89 124.53 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.4 tp -86.27 145.82 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.86 121.12 21.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.74 136.22 32.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -39.43 -40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.02 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -75.14 -43.74 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.69 -33.14 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -40.29 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -93.3 116.29 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.5 t-105 -70.09 -35.45 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.26 -42.23 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.481 ' HB3' HG23 ' A' ' 38' ' ' THR . 17.0 m170 -58.64 -36.55 74.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.42 -40.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.94 -24.94 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 22.3 tp60 -80.69 -22.47 40.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mtm -95.53 -40.18 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 19' ' ' LEU . 5.3 p -53.42 -27.15 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -71.62 -47.34 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -44.17 -33.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -92.46 -45.25 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 21' ' ' ALA . 38.6 mm -115.84 97.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -93.46 99.77 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' OD1' ' A' ' 22' ' ' ASN . 17.0 mt -67.02 138.79 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.9 ptt180 -53.18 -32.73 49.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 32.0 m -76.24 -18.06 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.02 -143.42 12.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.86 175.85 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 85' ' ' ALA . 66.9 t -89.69 139.97 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 2.1 m80 -118.14 -31.19 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' O ' HD22 ' A' ' 63' ' ' LEU . 16.2 ptp180 -138.27 167.35 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 85' ' ' ALA . 4.2 mm? -122.24 147.61 46.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -141.29 132.81 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 p -76.88 168.18 20.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 66' ' ' LEU . 1.9 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.14 29.68 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 6.7 tmtm? -96.51 150.8 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 20.3 tp -99.58 129.84 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.871 HG13 ' HB2' ' A' ' 76' ' ' GLU . 76.3 t -104.19 81.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.9 -29.69 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.7 t -148.36 141.56 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.551 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.82 -21.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.3 -29.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.871 ' HB2' HG13 ' A' ' 71' ' ' VAL . 28.3 mt-10 -81.16 -29.84 34.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.491 HD12 ' CA ' ' A' ' 74' ' ' GLY . 39.2 mt -51.39 164.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -137.62 155.4 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.23 110.01 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.69 43.8 6.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -128.11 166.51 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 m-85 -103.42 141.59 35.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 95.7 m-85 -144.68 131.3 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.591 HG21 ' CE2' ' A' ' 96' ' ' TYR . 81.0 t -83.8 129.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.33 112.66 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 91' ' ' PHE . 24.6 t -101.88 137.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.99 -159.49 23.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 27.7 mtp85 -45.03 -33.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.3 154.82 37.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.68 175.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HB2' HG21 ' A' ' 86' ' ' VAL . 22.3 t80 -94.35 109.24 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -73.07 82.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -42.59 113.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.727 HD12 ' HA2' ' A' ' 23' ' ' GLY . 49.1 mt -151.67 152.65 30.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.591 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.2 m-85 -98.75 -37.05 9.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.452 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -52.74 -22.25 11.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -77.38 -34.28 54.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.47 HD11 HD23 ' A' ' 25' ' ' LEU . 9.3 mt -66.97 -23.49 65.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 82' ' ' PHE . 12.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -67.18 95.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -84.63 92.62 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 -154.73 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -95.68 36.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 p -91.39 146.01 24.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.39 -93.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.91 126.13 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -87.86 156.06 52.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -178.21 2.23 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mt -58.8 105.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -128.8 75.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 9.3 tp10 -69.02 138.22 89.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 53.9 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.23 128.45 47.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 11.0 m -100.87 102.39 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 34' ' ' ILE . 21.6 pt -112.53 151.73 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.1 m-85 -99.79 140.67 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 19' ' ' LEU . 2.1 mm? -113.41 155.15 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 19' ' ' LEU . 71.2 mt -147.01 134.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 125.31 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -65.31 129.14 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 84.38 7.94 84.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -110.68 116.65 31.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.747 HD13 HD11 ' A' ' 99' ' ' LEU . 4.3 mm? -119.48 29.0 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.0 mp -121.65 -36.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -97.06 142.92 25.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.22 179.95 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -136.63 108.98 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.548 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 50.0 ttp85 -69.42 108.48 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.56 144.84 48.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.0 tp -107.31 139.47 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 17' ' ' ILE . 1.7 mt -120.73 119.76 29.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 150.36 68.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -58.28 -32.81 68.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.6 ptmm? -62.71 -29.09 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 44' ' ' HIS . 5.3 m -97.4 -33.36 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.93 -44.17 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.7 p30 -58.63 -40.99 84.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -93.13 95.14 9.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 47.0 t-105 -51.81 -42.35 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 43' ' ' ASP . 4.8 t0 -55.46 -40.35 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 38' ' ' THR . 18.4 m170 -64.89 -32.69 74.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.52 -52.36 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD21 ' NE1' ' A' ' 42' ' ' TRP . 1.9 mm? -57.43 -35.98 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 31.3 tp60 -62.52 -27.14 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.418 ' SD ' HG21 ' A' ' 38' ' ' THR . 34.6 mtp -93.99 -37.75 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.99 -37.29 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.6 m -62.88 -40.69 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -52.03 -30.5 25.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -96.54 -40.06 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mm -122.5 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -89.36 101.13 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.35 143.08 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -57.99 -28.15 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.9 p -74.35 -19.0 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.48 -111.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.49 178.57 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 t -90.42 142.88 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -123.74 -21.56 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -155.39 157.94 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -114.4 155.47 26.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -144.01 130.94 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.648 HG22 ' CE2' ' A' ' 83' ' ' TYR . 58.7 p -77.09 172.31 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.28 -16.14 63.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.13 -17.2 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.15 19.59 11.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -81.78 160.35 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tp -118.62 121.31 39.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.0 t -103.76 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.596 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 34.9 mt-10 -82.68 -19.41 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 71' ' ' VAL . 84.4 p -143.28 179.54 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -81.99 26.5 3.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.84 -27.03 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.708 0.29 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.822 ' HB2' HG13 ' A' ' 71' ' ' VAL . 24.3 mt-10 -89.88 -8.48 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 71.3 mt -64.76 172.51 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -152.04 173.6 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -99.04 105.82 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.13 43.54 7.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -119.46 165.53 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.1 m-85 -105.67 141.86 36.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 65' ' ' THR . 70.3 m-85 -142.98 166.1 25.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 96' ' ' TYR . 32.8 t -121.84 139.95 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.78 109.12 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG13 ' OD1' ' A' ' 89' ' ' ASP . 38.6 t -107.28 123.57 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.63 -136.75 3.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -83.79 40.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD1' HG13 ' A' ' 86' ' ' VAL . 11.3 p30 -134.68 179.78 6.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 3.6 mppt? -83.44 155.09 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 83.2 t80 -73.78 112.63 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 43.2 mttp -86.55 74.69 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 13.1 tptp -39.56 96.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.712 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -121.6 154.82 60.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 84' ' ' VAL . 79.7 m-85 -102.72 -31.62 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.83 -18.49 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -85.49 -37.27 19.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.747 HD11 HD13 ' A' ' 25' ' ' LEU . 14.5 mt -64.15 -27.15 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -59.98 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -96.24 100.18 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -37.95 148.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -146.14 128.26 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.13 126.07 1.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.84 64.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -86.37 -57.4 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -66.08 105.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 70.15 41.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t -110.62 133.1 53.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.67 152.78 32.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -87.97 152.17 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -94.62 146.97 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.02 -66.4 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -122.29 87.89 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -63.96 145.73 97.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.26 2.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.0 pp -108.65 11.04 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 39.0 mt-30 -89.32 85.2 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.3 143.62 32.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.639 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.75 171.39 14.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.734 2.289 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -136.42 132.98 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 8.7 m -98.37 112.84 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.86 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.0 pt -119.8 159.74 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.73 ' C ' HD22 ' A' ' 19' ' ' LEU . 95.5 m-85 -106.67 138.57 42.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.769 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -120.54 151.21 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 52.3 mt -141.34 143.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -73.26 123.51 23.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.99 127.39 31.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.87 7.54 66.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.544 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.1 t70 -111.71 120.26 41.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -125.04 16.17 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.676 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -111.79 -43.5 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -91.34 143.03 27.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -171.0 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.32 -177.53 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.46 122.89 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HE ' HG21 ' A' ' 16' ' ' THR . 31.2 ttt180 -76.21 113.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.55 141.65 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 14' ' ' PRO . 4.6 tp -104.36 139.65 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.448 HG12 ' HE1' ' A' ' 48' ' ' MET . 53.1 mt -121.33 118.69 29.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.08 49.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -44.19 -60.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -40.64 -28.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 44' ' ' HIS . 53.2 m -93.02 -41.32 10.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.3 mt -45.65 -36.85 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.1 p30 -65.53 -39.35 91.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 36.4 mt-30 -90.67 120.2 31.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -70.88 -43.55 68.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.22 -45.82 79.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.707 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.9 m170 -56.82 -33.95 67.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.91 -59.09 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -22.13 2.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -33.37 58.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.448 ' HE1' HG12 ' A' ' 34' ' ' ILE . 34.7 mtp -87.85 -31.98 19.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.747 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 p -65.67 -36.12 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -64.97 -48.0 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -49.31 -27.66 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -97.97 -37.49 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 21' ' ' ALA . 7.0 mm -118.59 95.09 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -86.08 107.0 17.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.8 mp -82.98 166.23 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -52.52 -31.85 37.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.4 t -74.1 -30.54 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.33 -12.45 33.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.66 149.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.474 HG21 ' HB1' ' A' ' 85' ' ' ALA . 72.3 t -88.22 154.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.432 ' N ' HG12 ' A' ' 60' ' ' VAL . 1.6 m80 -129.43 -32.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -138.87 155.74 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 mm? -115.67 161.28 18.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 55.8 m-85 -153.11 142.14 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 83' ' ' TYR . 68.6 p -83.05 -179.46 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.631 HD23 ' N ' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -86.31 -13.27 47.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -89.13 -17.07 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.09 31.36 3.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -110.93 162.43 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -123.58 144.06 49.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 73' ' ' SER . 40.9 t -107.64 136.18 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HG3' HD21 ' A' ' 70' ' ' LEU . 11.2 mt-10 -115.63 4.22 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.553 ' H ' HG12 ' A' ' 71' ' ' VAL . 1.7 t -172.36 -178.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.96 17.83 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.03 27.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.5 mt-10 -88.98 -28.94 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt -46.06 127.58 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.86 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.1 tt0 -110.32 171.22 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.69 102.07 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.57 6.35 57.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 2.6 tp-100 -94.02 171.8 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.713 ' CD2' HD22 ' A' ' 100' ' ' LEU . 32.0 m-85 -111.96 133.98 53.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 65' ' ' THR . 85.2 m-85 -132.84 127.08 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.008 HG21 ' CE2' ' A' ' 96' ' ' TYR . 39.1 t -83.1 134.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -94.3 126.47 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.81 128.94 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -154.44 23.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG2' ' CD2' ' A' ' 61' ' ' HIS . 17.8 mmm180 -54.88 -15.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.53 171.4 14.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 167.04 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 7.9 t80 -87.55 119.32 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -82.33 92.05 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -48.38 94.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 25' ' ' LEU . 17.1 mt -130.28 150.74 77.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 104.23 1.28 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 1.008 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.8 m-85 -99.27 -36.28 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -16.12 15.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.26 -36.76 24.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 25' ' ' LEU . 12.2 mt -65.01 -22.97 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.713 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -66.83 -60.34 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ASP . 16.8 m-85 -120.81 98.47 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' PHE . 2.3 t70 -37.31 154.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -108.08 -46.67 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.7 145.0 10.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -17.53 37.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 m -44.45 -51.48 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.2 p -83.51 -48.61 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 38.27 52.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t -97.82 -46.95 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.81 176.9 8.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -99.86 46.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m 58.25 43.71 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.03 -102.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 46.77 44.91 14.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -98.84 155.95 36.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.63 20.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.806 ' H ' HD12 ' A' ' 11' ' ' LEU . 4.4 mp -41.45 146.92 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -120.13 41.06 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -65.15 146.27 98.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.81 168.57 21.24 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -132.31 109.13 9.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.497 HG21 ' NE ' ' A' ' 31' ' ' ARG . 9.2 m -75.39 123.52 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 19' ' ' LEU . 22.9 pt -129.71 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 96.3 m-85 -103.83 131.08 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -110.95 148.54 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.23 135.72 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 126.71 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -60.7 136.41 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.82 16.06 80.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -115.97 119.74 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.961 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -125.01 23.81 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.672 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -115.85 -48.98 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -87.64 145.66 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -168.8 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.83 -174.94 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.424 ' OG ' HD11 ' A' ' 53' ' ' ILE . 4.8 p -137.06 110.1 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.497 ' NE ' HG21 ' A' ' 16' ' ' THR . 7.5 ttt85 -68.16 96.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -113.91 121.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 14' ' ' PRO . 5.9 tp -87.76 137.32 32.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 45' ' ' VAL . 17.5 mt -122.55 124.45 26.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.737 . . . . 0.0 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.02 58.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -43.95 -41.81 5.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.7 m -76.96 -37.74 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.4 -21.08 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -77.83 -30.83 51.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -107.16 93.24 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HZ3' HD11 ' A' ' 77' ' ' LEU . 13.2 t-105 -42.67 -45.88 4.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.01 -42.99 81.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 38' ' ' THR . 2.0 m80 -64.58 -37.31 87.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 34' ' ' ILE . 45.3 t -60.02 -50.01 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.96 -42.58 94.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -47.42 -33.49 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.2 mtp -90.63 -39.83 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.96 -42.22 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.5 m -60.2 -40.38 89.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.77 -30.72 24.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.64 -38.45 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.424 HD11 ' OG ' ' A' ' 30' ' ' SER . 46.5 mm -120.15 94.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -106.34 101.46 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.682 ' H ' HD12 ' A' ' 55' ' ' LEU . 1.6 mp -74.33 154.4 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -61.95 -32.11 72.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.9 p -66.72 -35.3 79.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.83 -162.0 29.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 175.15 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 48.2 t -88.52 143.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 2.4 m80 -122.33 -29.46 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -145.33 166.36 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mm? -119.06 160.12 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 65.4 m-85 -155.06 126.14 7.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.402 HG22 ' CD2' ' A' ' 83' ' ' TYR . 70.9 p -71.87 179.12 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 96' ' ' TYR . 5.0 mt -75.96 -16.53 59.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.06 -15.93 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.01 21.49 10.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -91.15 142.31 27.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' CZ ' ' A' ' 64' ' ' TYR . 15.5 tp -98.87 132.01 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 76' ' ' GLU . 92.2 t -112.43 99.92 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -92.31 7.16 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 5.4 t -151.81 158.93 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 29.93 2.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -22.17 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 71' ' ' VAL . 17.5 mt-10 -83.93 -22.51 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 ' HZ3' ' A' ' 42' ' ' TRP . 52.5 mt -66.12 145.36 55.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -131.13 162.34 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 7.1 p-10 -80.96 106.68 13.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.81 37.32 5.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -122.31 174.81 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.6 m-85 -114.85 153.28 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 76.8 m-85 -158.56 131.05 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.8 t -88.62 135.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.26 121.7 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.75 118.57 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.94 -133.97 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 9.1 mtp-105 -86.72 44.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.73 174.95 10.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.98 162.59 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 64' ' ' TYR . 86.6 t80 -82.08 102.2 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -66.69 79.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -42.55 99.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 25' ' ' LEU . 9.1 mt -136.07 151.36 73.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 84' ' ' VAL . 87.1 m-85 -105.44 -33.93 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.74 -15.79 14.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.67 -36.71 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 25' ' ' LEU . 13.3 mt -65.88 -27.08 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.1 mt -59.46 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -108.96 113.66 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -39.19 138.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -86.91 21.15 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.7 143.67 5.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 107' ' ' SER . 53.3 Cg_endo -69.78 -26.25 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -51.3 88.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.3 m -124.25 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -46.81 154.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -158.61 107.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.83 -174.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -127.76 43.25 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -96.3 133.63 40.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.45 45.53 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.89 113.32 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 138.16 19.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.09 43.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLN . 6.3 mt -41.67 -63.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.0 pt20 -36.69 111.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -106.3 144.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.0 Cg_endo -69.81 159.58 52.83 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.377 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' C ' HD12 ' A' ' 33' ' ' LEU . 19.1 m -130.19 125.01 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -89.56 121.35 31.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 19' ' ' LEU . 26.5 pt -127.74 147.54 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 81.2 m-85 -95.98 135.04 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -113.94 138.19 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 59.2 mt -128.51 148.97 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -74.95 122.2 23.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -56.53 114.69 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.26 -3.29 58.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.11 110.31 22.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -114.24 19.31 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.5 mp -114.54 -46.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.11 143.18 28.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -89.92 -175.92 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -130.02 105.48 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -55.46 96.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' HD23 ' A' ' 19' ' ' LEU . 25.5 tp -117.43 137.31 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 14' ' ' PRO . 6.2 tp -107.77 149.33 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.442 ' N ' ' HG ' ' A' ' 33' ' ' LEU . 49.3 mt -130.57 124.38 20.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.728 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -36.19 -54.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -43.99 -48.94 8.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 44' ' ' HIS . 99.2 m -71.18 -41.08 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.2 mt -48.6 -23.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.62 -37.49 73.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.04 124.9 48.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 35.9 t-105 -71.29 -44.21 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -31.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.519 ' HB3' HG23 ' A' ' 38' ' ' THR . 18.9 m170 -72.98 -27.03 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.55 -50.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.3 mm? -56.87 -37.82 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 17.0 tp60 -55.53 -33.04 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.5 mtp -93.31 -37.53 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.14 -36.49 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.0 m -63.53 -41.23 98.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.23 -37.45 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.1 mptt -89.22 -45.3 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 21' ' ' ALA . 37.7 mm -113.2 99.96 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -98.89 102.43 14.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 mt -71.92 144.58 48.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.44 -20.12 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -86.29 -8.38 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.18 -163.9 21.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.75 167.07 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 t -79.34 149.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 88' ' ' ARG . 3.7 m80 -125.2 -30.9 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' VAL . 36.6 mtm180 -147.19 178.46 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.657 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 3.9 mp -139.54 158.8 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.68 ' OH ' HD12 ' A' ' 70' ' ' LEU . 28.0 m-85 -148.88 133.75 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -68.32 173.48 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.675 HD23 ' N ' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -71.88 -10.67 60.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -93.39 -16.34 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 -5.48 24.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -60.55 160.35 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.68 HD12 ' OH ' ' A' ' 64' ' ' TYR . 7.1 tt -118.65 137.35 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.4 t -119.4 106.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 32.9 mt-10 -87.39 -21.69 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 71' ' ' VAL . 85.1 p -141.37 179.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.72 23.5 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.22 -22.92 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.763 ' HB2' HG13 ' A' ' 71' ' ' VAL . 12.8 mt-10 -96.71 9.81 40.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.29 -177.6 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -160.05 156.51 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -83.13 113.01 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.81 35.63 15.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -120.75 174.17 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.888 ' CE2' HD22 ' A' ' 100' ' ' LEU . 19.2 m-85 -112.2 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -147.78 129.32 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 96' ' ' TYR . 44.1 t -81.82 137.82 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.47 109.01 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG21 ' CD1' ' A' ' 64' ' ' TYR . 74.2 t -105.32 127.34 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.55 -136.64 5.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.53 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 32.8 mtp180 -86.75 39.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.78 166.75 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -64.19 162.74 13.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 93' ' ' LYS . 8.6 t80 -95.86 114.94 26.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -74.53 102.03 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 91' ' ' PHE . 5.9 tmtt? -56.93 91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 25' ' ' LEU . 75.6 mt -129.19 151.51 77.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.92 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.456 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.5 m-85 -101.43 -33.79 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -61.16 -14.13 38.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -84.52 -29.23 26.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 25' ' ' LEU . 7.0 mt -72.96 -18.93 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.888 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.1 mt -75.3 -57.87 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -147.42 122.22 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -81.8 146.6 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -104.89 -35.66 7.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.69 120.8 1.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 92.56 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 p -99.82 125.8 45.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -123.85 110.42 14.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -106.15 156.76 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -118.17 -55.23 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.89 -155.19 26.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -105.41 -46.11 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -113.69 152.54 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.42 -55.51 6.8 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 56.86 50.85 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -81.4 148.82 63.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.37 27.82 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 11' ' ' LEU . 3.0 mp -69.49 173.29 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -109.0 86.93 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.51 148.29 43.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.22 19.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.1 t -127.13 144.88 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -112.51 109.2 18.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 34' ' ' ILE . 22.1 pt -119.98 153.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.599 ' C ' HD22 ' A' ' 19' ' ' LEU . 22.2 m-85 -100.85 137.39 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.604 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.9 mm? -112.68 148.2 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 96' ' ' TYR . 45.1 mt -142.02 142.0 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -73.65 118.88 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.2 p-10 -57.46 118.3 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.04 6.76 55.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.964 HD13 HD11 ' A' ' 99' ' ' LEU . 4.2 mm? -113.83 8.57 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.6 mp -105.94 -37.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -92.33 139.43 24.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -169.55 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.28 177.1 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -131.23 104.83 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -62.46 99.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 19' ' ' LEU . 12.4 tp -110.97 137.05 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 15' ' ' CYS . 6.1 tp -100.92 141.67 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' THR . 2.1 mt -126.98 119.43 22.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.45 57.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -46.41 -43.57 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.7 pttm -52.77 -32.35 43.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 45' ' ' VAL . 55.1 m -80.4 -40.89 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -35.21 26.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -56.58 -28.7 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.3 mm100 -114.28 143.0 45.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 31.8 t-105 -90.97 -27.89 18.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.51 -28.69 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -74.09 -21.08 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 38' ' ' THR . 47.9 t -79.17 -41.58 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.28 -38.69 91.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 19.7 tp60 -56.9 -32.26 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.3 mtp -91.01 -26.55 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 HG21 ' A' ' 60' ' ' VAL . 21.5 t -68.57 -40.59 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.692 ' OG1' HG23 ' A' ' 60' ' ' VAL . 46.6 m -61.26 -40.01 92.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -47.47 -31.47 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -96.57 -46.08 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 34.0 mm -108.87 95.45 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -95.53 109.09 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.94 135.89 34.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -53.66 -20.84 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -26.64 35.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.22 -138.42 6.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.36 178.94 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG23 ' OG1' ' A' ' 50' ' ' THR . 13.6 t -82.88 140.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 44.1 m80 -121.06 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.674 ' O ' HD22 ' A' ' 63' ' ' LEU . 19.7 mtp85 -136.92 176.82 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 62' ' ' ARG . 4.2 mm? -133.0 141.04 48.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -140.6 129.33 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.9 p -71.66 -174.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.685 HD23 ' N ' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.08 -9.38 59.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -95.26 -21.08 18.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.14 15.04 12.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -81.76 160.37 23.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.53 133.17 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.95 HG13 ' HB2' ' A' ' 76' ' ' GLU . 4.0 t -112.25 84.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.87 -28.27 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.776 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.5 p -142.01 160.55 39.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.99 0.17 12.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.77 -15.6 62.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.95 ' HB2' HG13 ' A' ' 71' ' ' VAL . 3.6 mt-10 -102.38 5.09 39.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.09 173.92 12.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -148.98 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -86.04 106.5 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 27.2 7.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -114.83 168.96 9.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' HD22 ' A' ' 100' ' ' LEU . 6.3 m-85 -114.16 144.33 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -143.23 138.97 30.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.8 t -91.15 140.64 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -94.45 109.02 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 91' ' ' PHE . 39.6 t -105.83 125.62 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.19 -140.92 2.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 28.9 mtm105 -85.93 39.4 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' HD3' ' A' ' 90' ' ' LYS . 8.3 t0 -140.93 158.12 44.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' HD3' ' CG ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -45.48 161.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 2.3 t80 -99.04 121.19 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -86.94 96.27 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -62.72 88.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 11.8 mt -116.26 153.4 48.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.222 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.709 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.3 m-85 -104.23 -32.78 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.509 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.81 -11.15 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -90.23 -33.58 16.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 25' ' ' LEU . 10.1 mt -71.25 -19.42 62.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.4 mt -65.94 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -113.37 105.38 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -61.3 170.93 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.7 m -105.62 -53.45 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.95 83.68 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -3.01 11.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t 42.78 48.05 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.7 p -68.68 -43.53 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -164.91 118.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -54.5 164.89 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 157.28 27.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -43.81 106.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -81.39 -51.77 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.56 -79.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -69.63 155.28 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' H ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.94 143.56 74.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.931 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.37 27.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.664 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -92.11 173.43 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' GLU . 27.9 pt20 38.24 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' GLN . 1.9 mp0 -35.92 150.77 0.1 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.71 171.84 13.67 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -121.25 129.84 53.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -104.03 98.02 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 34' ' ' ILE . 23.4 pt -115.02 151.34 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.638 ' C ' HD22 ' A' ' 19' ' ' LEU . 39.7 m-85 -99.06 140.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.638 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -112.89 153.07 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.6 137.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.12 107.53 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' CE ' ' A' ' 92' ' ' LYS . 23.1 t30 -49.44 121.05 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -8.03 57.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.42 114.46 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -113.92 16.7 18.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.25 -42.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -93.51 141.45 23.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -168.2 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -84.9 -175.89 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -140.18 105.16 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 42.2 ttp180 -61.87 106.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 52' ' ' LYS . 6.0 tp -123.34 122.96 39.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 14' ' ' PRO . 6.9 tp -83.04 145.31 29.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 17' ' ' ILE . 13.1 mt -130.37 118.73 18.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.79 125.74 12.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.896 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tpp85 -35.51 -57.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -35.7 -43.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 54.6 m -75.83 -40.01 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.896 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -48.76 -25.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.05 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -111.67 106.5 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 14.4 t-105 -54.83 -39.66 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.29 -42.85 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -66.39 -38.19 86.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -58.23 -58.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 61' ' ' HIS . 65.3 mt -49.19 -42.33 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -48.17 -27.02 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.1 mtm -95.75 -29.98 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG12 HG21 ' A' ' 60' ' ' VAL . 75.0 t -64.95 -31.77 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -74.98 -30.44 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.45 -33.05 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' CG ' HD13 ' A' ' 32' ' ' LEU . 18.2 mmmt -98.31 -39.6 8.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.98 94.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.6 m -95.28 103.71 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.76 146.94 54.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 18.6 ttp-105 -59.89 -38.15 81.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.4 m -69.69 -35.24 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.32 -137.36 4.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.86 -175.41 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG21 HG12 ' A' ' 49' ' ' VAL . 19.3 t -93.36 147.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' HA ' HD13 ' A' ' 46' ' ' LEU . 1.4 m80 -127.78 -30.59 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -141.44 163.89 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 4.3 mm? -121.13 148.45 44.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . 63.3 m-85 -149.26 134.5 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.751 HG22 ' CE1' ' A' ' 83' ' ' TYR . 10.1 p -75.66 -174.67 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.1 mt -77.55 -9.28 58.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -95.54 -24.25 16.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 12.66 11.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 160.4 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 72' ' ' GLU . 6.5 tt -120.06 118.78 31.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.003 HG13 ' HB2' ' A' ' 76' ' ' GLU . 14.4 t -104.77 81.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 70' ' ' LEU . 22.5 mt-10 -57.52 -25.16 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.1 t -152.9 147.52 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.34 -20.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 1.003 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.2 mt-10 -103.97 -13.55 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 71' ' ' VAL . 25.8 mt -60.7 151.38 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 81' ' ' GLN . 6.0 tt0 -111.98 167.72 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 11.0 p-10 -94.46 103.67 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.53 24.84 34.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 24.5 tp60 -99.96 149.9 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.769 ' CD2' HD22 ' A' ' 100' ' ' LEU . 35.7 m-85 -90.73 117.8 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.751 ' CE1' HG22 ' A' ' 65' ' ' THR . 84.9 m-85 -114.13 176.2 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' TYR . 48.9 t -131.95 139.91 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.4 114.23 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.52 113.92 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.63 -141.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -83.41 40.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -134.77 171.23 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.11 146.64 45.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 69.0 t80 -64.61 106.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.491 ' CE ' ' ND2' ' A' ' 22' ' ' ASN . 38.4 mtmt -69.21 80.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -42.79 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 9.0 mt -141.45 151.43 60.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.552 0.691 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.02 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.754 ' HB2' HD22 ' A' ' 66' ' ' LEU . 90.2 m-85 -102.95 -32.55 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -53.87 -25.1 29.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 12.0 pt-20 -78.69 -41.45 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 25' ' ' LEU . 13.9 mt -56.4 -28.11 58.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.769 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -65.78 -64.01 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -127.26 120.43 28.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -82.37 160.32 22.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -71.92 -46.34 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.4 -103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 179.19 3.85 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.6 t -48.7 -57.64 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.4 t -66.99 -49.82 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t 37.82 40.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -60.35 121.74 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.62 72.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -93.17 40.51 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -116.23 110.19 18.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -141.74 3.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -135.3 112.2 10.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -99.69 144.34 28.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.05 22.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -57.71 132.01 51.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 58.0 mt-30 -134.0 70.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.46 148.01 85.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.3 Cg_endo -69.66 166.45 27.44 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 36.3 m -124.59 138.47 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.403 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.5 m -105.78 109.15 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.62 HD13 HD22 ' A' ' 77' ' ' LEU . 18.4 pt -120.81 154.3 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 9.6 m-85 -105.14 130.84 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.704 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.1 mm? -105.83 157.63 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.732 HD11 HD21 ' A' ' 100' ' ' LEU . 68.0 mt -143.97 140.51 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -67.41 125.33 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.78 127.19 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.02 89.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -102.51 115.83 31.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 94' ' ' LEU . 3.8 mm? -114.96 23.0 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.9 mp -118.54 -42.85 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -86.73 137.51 33.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.57 178.6 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -136.2 109.59 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -67.72 104.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -122.12 137.08 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.0 tp -96.89 139.47 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 45' ' ' VAL . 18.0 mt -123.47 114.78 28.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 145.46 56.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH1' ' HG2' ' A' ' 12' ' ' GLN . 21.8 tpp85 -47.04 -53.86 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.5 ptpp? -45.4 -24.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.8 m -99.27 -41.0 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.1 -43.14 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 2.2 p30 -59.7 -40.74 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.74 95.89 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.477 ' CE3' ' N ' ' A' ' 74' ' ' GLY . 19.2 t-105 -58.43 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -71.73 -21.31 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.8 m170 -85.3 -33.16 22.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 49' ' ' VAL . 84.2 t -65.23 -40.24 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 61' ' ' HIS . 84.4 mt -68.26 -39.62 82.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -59.34 -30.28 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 38' ' ' THR . 41.0 mtp -91.25 -36.74 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 45' ' ' VAL . 24.9 t -59.26 -37.62 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.0 m -64.47 -33.8 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -56.57 -25.31 51.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -102.75 -40.93 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.22 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -82.68 100.41 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.22 135.21 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -47.44 -40.27 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -67.89 -30.93 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.01 -121.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.24 175.47 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG13 HD22 ' A' ' 46' ' ' LEU . 14.0 p -90.96 141.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -119.8 -18.74 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 63' ' ' LEU . 9.7 ptp180 -146.98 168.45 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.5 mm? -123.52 156.77 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 64.4 m-85 -150.57 131.22 13.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.609 HG22 ' CE2' ' A' ' 83' ' ' TYR . 68.2 p -74.92 176.25 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.05 -12.49 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.59 -11.9 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.42 -11.78 30.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.16 150.55 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 63' ' ' LEU . 7.6 tp -114.11 140.24 48.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.706 HG13 ' HB2' ' A' ' 76' ' ' GLU . 26.0 t -112.04 97.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.75 -8.36 53.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 14.8 t -163.23 146.02 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -51.67 -15.34 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.47 -24.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' HG13 ' A' ' 71' ' ' VAL . 11.6 mt-10 -92.07 -33.15 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 HD13 ' A' ' 17' ' ' ILE . 47.9 mt -41.72 133.82 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.8 tp10 -106.09 159.35 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 15' ' ' CYS . 22.2 t-20 -86.3 91.63 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.97 2.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 26.0 mt-30 -119.65 174.0 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 61.5 m-85 -111.24 144.65 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.609 ' CE2' HG22 ' A' ' 65' ' ' THR . 84.3 m-85 -148.1 159.96 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.5 t -115.0 137.89 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.81 109.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.11 128.41 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -90.35 -159.67 35.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -42.03 -25.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.9 OUTLIER -75.53 173.54 10.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -178.3 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.58 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 69.6 t80 -86.77 113.54 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' LYS . 32.8 mttp -89.86 79.55 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . 12.5 tttp -37.6 115.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 25' ' ' LEU . 22.4 mt -149.61 154.83 38.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.7 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.19 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.6 ' HB3' HD13 ' A' ' 20' ' ' ILE . 61.5 m-85 -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.64 -28.95 7.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG3' HD23 ' A' ' 99' ' ' LEU . 13.9 pt-20 -75.8 -41.81 51.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 25' ' ' LEU . 13.1 mt -58.45 -27.45 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 20' ' ' ILE . 4.1 mt -70.2 -56.47 6.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.478 ' O ' ' CG ' ' A' ' 101' ' ' PHE . 2.3 p90 -137.12 115.61 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.02 127.98 36.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 104' ' ' GLY . 3.9 t -126.42 -38.12 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -34.68 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.79 18.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.5 p -79.22 159.11 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.7 p -170.78 152.04 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -133.22 146.57 51.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p 43.72 42.41 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.88 -48.7 3.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.5 m 46.52 42.69 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -99.44 107.45 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.01 -81.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -112.01 143.26 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 3.7 tppp? -84.01 137.39 40.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.544 0.688 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 54.2 Cg_endo -69.72 -169.58 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.08 81.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 9.4 tt0 -104.84 100.93 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -162.79 148.64 10.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.9 Cg_endo -69.74 175.24 8.34 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -152.42 110.66 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.793 HG21 ' HE ' ' A' ' 31' ' ' ARG . 31.6 m -74.48 120.72 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.1 pt -127.15 160.62 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' C ' HD22 ' A' ' 19' ' ' LEU . 43.7 m-85 -110.45 138.44 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.4 mm? -114.07 151.05 33.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.1 mt -143.45 142.44 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -71.42 125.63 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -57.62 135.77 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.14 23.08 77.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -117.56 118.55 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.8 mm? -124.49 24.02 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 25' ' ' LEU . 13.9 mm -116.08 -46.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -89.36 146.04 35.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.56 -179.09 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -132.46 112.4 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.793 ' HE ' HG21 ' A' ' 16' ' ' THR . 56.8 ttt180 -66.76 91.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.8 tp -114.24 123.61 49.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.74 HD12 ' OG1' ' A' ' 16' ' ' THR . 6.6 tt -101.66 150.99 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 mt -119.86 125.74 27.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' HG3' ' CG ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -34.44 -58.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -41.58 -49.39 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -71.17 -42.62 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -46.15 -23.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -77.49 -35.75 53.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 1.7 mp0 -98.63 111.27 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.7 t-105 -66.44 -35.5 80.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -41.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.01 -32.95 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 49' ' ' VAL . 93.4 t -63.72 -41.78 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.0 mt -69.5 -33.93 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -62.37 -35.09 78.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.79 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.8 ptm -89.37 -38.85 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 45' ' ' VAL . 19.4 t -53.98 -37.78 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.5 m -66.81 -36.49 82.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -51.99 -35.56 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG3' HD13 ' A' ' 32' ' ' LEU . 24.0 mmmt -90.65 -39.94 12.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 21' ' ' ALA . 32.1 mm -116.6 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -88.84 100.09 12.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 60' ' ' VAL . 46.6 mt -66.22 141.0 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -54.34 -39.9 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 m -67.25 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.37 -110.44 0.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.79 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 85' ' ' ALA . 42.5 t -91.14 144.0 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -123.7 -19.84 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -146.73 164.17 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 83' ' ' TYR . 3.7 mm? -119.13 146.42 45.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 45.7 m-85 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 83' ' ' TYR . 12.7 p -73.64 168.88 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 96' ' ' TYR . 6.0 mt -62.01 -20.1 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.34 -24.17 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.66 -2.26 24.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.91 152.54 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' LEU . 15.9 tp -108.87 135.39 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.846 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.9 t -106.09 83.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -54.17 -26.8 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ALA . 78.9 p -150.22 140.31 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.69 -20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.37 -23.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.731 0.3 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.846 ' HB2' HG13 ' A' ' 71' ' ' VAL . 25.1 mt-10 -90.48 -28.59 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' GLY . 63.1 mt -46.64 174.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.04 158.64 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 5.6 p-10 -80.27 108.68 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 35.97 6.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -122.19 171.63 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.746 ' CE2' HD22 ' A' ' 100' ' ' LEU . 14.6 m-85 -114.33 154.89 27.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.51 ' HB3' HD12 ' A' ' 63' ' ' LEU . 97.1 m-85 -157.82 129.57 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.611 HG21 ' CE2' ' A' ' 96' ' ' TYR . 99.9 t -84.85 137.1 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -90.2 121.12 31.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 91' ' ' PHE . 51.4 t -119.18 124.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.18 -145.51 17.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -56.54 -25.02 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -78.45 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -56.38 168.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 13.6 t80 -93.07 121.94 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -93.98 87.79 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.37 92.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.5 mt -120.82 154.82 57.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 104.98 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.727 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.7 m-85 -107.53 -29.01 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.662 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -19.51 32.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.4 -32.31 32.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 25' ' ' LEU . 7.8 mt -72.18 -23.16 61.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.1 mt -65.48 -63.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.4 104.74 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -49.58 172.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 m -91.41 99.18 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.19 -95.38 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.11 25.3 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.333 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -72.51 107.89 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.9 t -55.16 106.49 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -156.73 125.54 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -103.49 85.34 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.14 73.19 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -68.0 105.61 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -167.11 147.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.85 102.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -102.85 41.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -103.13 144.84 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 172.9 11.75 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.742 2.295 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.674 ' H ' HD12 ' A' ' 11' ' ' LEU . 4.9 mp -50.76 125.12 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -108.49 83.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.19 155.93 71.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.31 9.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.8 m -136.97 137.53 39.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -100.27 114.99 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.84 146.04 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.642 ' C ' HD22 ' A' ' 19' ' ' LEU . 19.8 m-85 -95.79 133.41 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -108.82 145.39 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -133.64 131.88 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -67.17 117.97 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -50.61 132.72 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 78.66 11.14 85.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 120.07 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 94' ' ' LEU . 18.4 mt -125.22 -4.67 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.1 mp -94.95 -28.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.08 139.61 20.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -175.42 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.25 -179.14 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -134.75 102.68 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 ttp180 -64.88 99.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 52' ' ' LYS . 9.8 tp -118.22 129.85 55.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.1 tp -87.93 147.59 24.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -134.22 121.6 15.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 127.17 14.19 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.893 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.9 tmt_? -36.46 -58.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -35.16 -41.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 45' ' ' VAL . 29.1 m -77.92 -42.35 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.0 mp -45.7 -24.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mm-40 -100.5 121.28 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 8.8 t-105 -71.66 -32.44 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.76 -36.29 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.43 -41.19 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 41' ' ' GLN . 91.3 t -56.68 -56.84 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' A' ' 60' ' ' VAL . 87.7 mt -52.19 -41.01 62.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -48.63 -29.49 4.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.2 mtm -94.85 -31.3 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 HG21 ' A' ' 60' ' ' VAL . 67.9 t -63.38 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -67.25 -37.18 83.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.61 -29.95 64.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 32' ' ' LEU . 23.8 mmmt -95.92 -40.19 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 21' ' ' ALA . 44.8 mm -118.79 88.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -86.05 100.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.3 mp -65.31 140.78 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -53.7 -40.87 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 p -66.41 -32.18 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.03 -132.87 3.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.63 178.08 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 HG12 ' A' ' 49' ' ' VAL . 99.6 t -83.67 148.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -127.42 -31.7 2.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -149.24 166.58 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.2 mm? -119.66 148.79 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -142.73 136.67 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' CE2' ' A' ' 83' ' ' TYR . 62.3 p -82.32 165.29 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.12 -23.65 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -83.34 -12.19 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.01 55.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -71.54 152.96 42.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 63' ' ' LEU . 23.9 tp -103.88 144.25 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 76' ' ' GLU . 45.0 t -117.41 81.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -53.76 -20.8 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 7.4 t -161.3 143.64 12.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.559 ' HA2' HD12 ' A' ' 77' ' ' LEU . . . -39.24 -24.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -42.3 -31.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.948 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.6 mt-10 -87.19 -29.29 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 83' ' ' TYR . 86.8 mt -55.47 165.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' CB ' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -132.58 160.71 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 22.4 p-10 -82.46 97.57 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.11 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.458 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 8.3 mt-30 -117.83 171.53 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.4 m-85 -105.72 151.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' HD23 ' A' ' 77' ' ' LEU . 89.0 m-85 -156.83 137.35 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.39 139.67 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 60' ' ' VAL . . . -89.62 109.92 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 91' ' ' PHE . 98.2 t -112.03 120.48 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -97.63 -159.78 30.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' GLY . 2.6 ptm180 -37.28 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' GLY . 16.4 p30 -75.61 149.62 38.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -69.14 157.92 35.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HD1' HG21 ' A' ' 86' ' ' VAL . 70.0 t80 -67.41 150.54 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -120.79 107.9 13.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 99.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 23.6 mt -136.04 147.51 61.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 103.69 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 51.4 m-85 -103.02 -30.85 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.472 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -53.27 -17.61 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.98 -30.35 26.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 25' ' ' LEU . 6.4 mt -76.11 -17.12 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt -68.43 -58.66 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' ASP . 89.8 m-85 -157.93 146.98 19.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' PHE . 8.0 t70 -34.44 121.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -120.35 103.93 9.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -131.86 -96.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 81.31 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.1 t -48.34 -50.0 32.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 p -55.81 -52.95 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.17 122.24 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -152.57 138.33 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.49 106.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -103.0 137.81 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -148.24 124.28 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.44 163.97 27.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -81.74 113.89 20.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' N ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.07 148.63 95.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 110.927 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -169.83 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.67 88.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.01 88.26 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.53 143.9 45.09 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.42 21.62 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.6 m -124.56 124.52 42.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -89.9 114.43 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 78' ' ' GLU . 21.0 pt -119.8 153.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.678 ' C ' HD22 ' A' ' 19' ' ' LEU . 66.7 m-85 -105.23 133.31 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.694 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -109.84 159.82 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.3 mt -151.81 134.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 128.69 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.5 115.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.09 20.4 33.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.94 113.49 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.986 HD13 HD11 ' A' ' 99' ' ' LEU . 2.5 mm? -116.37 18.17 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.3 mp -110.08 -44.06 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -92.95 143.37 26.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.04 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 -177.73 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.0 m -133.15 101.57 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.94 97.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.96 128.67 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -97.27 141.05 30.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 39' ' ' LEU . 2.1 mt -124.7 135.41 26.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.75 153.72 68.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.394 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 4.8 tpt180 -69.3 1.12 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -96.02 -38.53 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.92 HG23 ' HB3' ' A' ' 44' ' ' HIS . 2.7 m -102.61 -46.64 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -47.04 -42.99 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 36' ' ' ARG . 68.5 m-20 -51.01 -35.73 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.0 mm-40 -84.38 179.81 7.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 9.8 t-105 -114.88 -61.53 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.33 -31.13 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.92 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.5 m170 -80.14 -23.39 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.2 t -80.47 -44.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' A' ' 42' ' ' TRP . 1.9 mm? -61.82 -26.62 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 35.9 tp60 -79.49 -19.44 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.573 ' SD ' HG21 ' A' ' 38' ' ' THR . 19.7 mtp -96.25 -41.07 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 46' ' ' LEU . 7.6 p -56.21 -47.79 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 49' ' ' VAL . 49.3 m -49.99 -42.67 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -48.67 -27.37 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -103.7 -40.66 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.9 mm -109.75 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -91.22 109.2 20.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 60' ' ' VAL . 69.7 mt -83.4 166.29 18.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.11 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.5 t -65.77 -27.75 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.93 -15.66 16.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.4 162.18 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' A' ' 55' ' ' LEU . 8.6 p -95.88 146.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.582 ' CD2' ' HG3' ' A' ' 88' ' ' ARG . 2.0 m80 -117.17 -26.49 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -146.43 155.09 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD23 HD11 ' A' ' 46' ' ' LEU . 2.2 mm? -109.62 157.49 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 58.8 m-85 -152.44 122.08 6.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.691 HG22 ' CD2' ' A' ' 83' ' ' TYR . 52.7 p -69.71 172.04 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.1 -23.78 64.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.55 -13.41 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.06 6.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -103.06 140.18 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.12 136.32 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 76' ' ' GLU . 38.6 t -107.89 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.26 -18.74 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 32.4 p -154.65 151.5 28.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.46 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -54.8 -12.09 3.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.463 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.88 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.737 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.9 mt-10 -93.56 -18.64 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.41 106.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.526 ' O ' HG22 ' A' ' 17' ' ' ILE . 12.8 tt0 -93.12 160.72 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -85.3 102.57 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.19 31.82 4.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -119.79 169.04 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 100' ' ' LEU . 41.7 m-85 -112.12 141.0 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.691 ' CD2' HG22 ' A' ' 65' ' ' THR . 89.4 m-85 -143.67 152.86 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 t -112.01 137.39 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -92.91 113.47 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.77 134.24 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' N ' HD13 ' A' ' 55' ' ' LEU . . . -75.85 -131.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 61' ' ' HIS . 12.7 mtm105 -98.48 46.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -150.75 172.52 15.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -51.2 -176.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.5 t80 -110.45 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -73.59 81.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 18.9 tttm -55.17 106.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.552 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -131.2 153.67 81.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 106.09 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.53 ' HD1' HD12 ' A' ' 99' ' ' LEU . 77.1 m-85 -110.1 -29.3 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -43.27 -34.29 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 98' ' ' GLU . 9.1 mp0 -76.08 -38.72 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.986 HD11 HD13 ' A' ' 25' ' ' LEU . 23.6 mt -62.98 -27.6 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.9 mt -60.01 -68.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.38 110.13 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 104' ' ' GLY . 1.2 p-10 -96.59 155.29 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' ASP . 0.9 OUTLIER 37.71 27.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ASP . . . -107.65 -91.18 2.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.14 30.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.3 p -78.44 110.49 13.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -71.0 133.34 46.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -105.68 115.69 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -49.69 -39.11 35.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.05 -100.24 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -150.3 166.09 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.825 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -171.31 117.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.49 173.55 45.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 45.41 40.38 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -93.81 138.41 22.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.545 0.688 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.709 ' H ' HD12 ' A' ' 11' ' ' LEU . 2.9 mp -65.1 121.91 15.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.66 55.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -51.29 144.55 15.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 171.24 14.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 17' ' ' ILE . 6.3 t -127.97 134.78 49.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -101.98 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG23 ' SG ' ' A' ' 15' ' ' CYS . 20.8 pt -121.24 150.45 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.577 ' C ' HD22 ' A' ' 19' ' ' LEU . 9.4 m-85 -99.34 134.25 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.592 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.5 mm? -109.17 154.14 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -143.41 145.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 114.48 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.49 133.9 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 -3.58 84.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 25' ' ' LEU . 4.4 t70 -102.33 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 99' ' ' LEU . 1.3 mm? -120.42 24.9 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.6 mp -118.49 -37.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -96.13 140.43 22.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.96 -175.24 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -141.3 110.23 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 20.2 ttp-105 -67.22 101.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.3 tp -115.23 140.52 49.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 tp -103.09 141.08 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' HD11 ' A' ' 39' ' ' LEU . 9.7 mt -130.48 118.9 18.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.8 125.83 12.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -31.72 -42.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -47.74 -50.86 24.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 42.0 m -68.95 -40.31 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.7 mp -46.76 -27.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.63 -38.27 90.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' VAL . 40.4 mm-40 -105.54 98.21 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' O ' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -49.44 -47.18 48.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -51.78 -45.28 63.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.433 ' HB3' HG23 ' A' ' 38' ' ' THR . 7.7 m170 -64.29 -23.56 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 46.4 t -73.41 -42.96 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' O ' ' A' ' 42' ' ' TRP . 1.8 mm? -69.22 -30.48 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 20.2 tp60 -62.08 -31.58 72.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.726 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.1 ptm -93.37 -36.62 12.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 45' ' ' VAL . 42.5 t -60.27 -32.05 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 ' OG1' HG23 ' A' ' 60' ' ' VAL . 64.6 m -69.2 -31.31 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.16 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -96.28 -39.87 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -120.01 87.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.4 m -88.03 108.32 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 143.27 42.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -59.45 -21.4 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.2 p -79.04 -31.05 44.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.74 -111.43 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.54 -179.5 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.582 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 2.9 t -91.84 143.12 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.58 -28.88 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -143.04 164.39 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.72 157.71 26.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 53.1 m-85 -150.06 124.81 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.859 HG22 ' CE2' ' A' ' 83' ' ' TYR . 44.1 p -75.99 167.95 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.86 -18.99 65.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -82.21 -16.98 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.64 13.86 28.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.9 tptm -84.45 152.62 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 8.8 tp -106.9 135.51 48.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 76' ' ' GLU . 1.9 t -115.71 101.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.15 -2.99 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 71' ' ' VAL . 4.7 m -158.49 172.35 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.07 26.1 3.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.05 -17.26 17.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.973 ' HB2' HG13 ' A' ' 71' ' ' VAL . 16.4 mt-10 -107.27 16.98 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.75 -179.03 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -154.07 158.73 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -93.56 107.93 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.3 42.03 5.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -124.36 173.17 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE2' HD22 ' A' ' 100' ' ' LEU . 51.1 m-85 -113.9 132.82 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HG22 ' A' ' 65' ' ' THR . 57.1 m-85 -130.32 173.51 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -129.09 135.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 60' ' ' VAL . . . -89.96 115.87 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.99 119.46 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.83 -129.32 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -85.46 28.15 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.52 163.85 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.09 144.44 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 88.8 t80 -63.99 120.83 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -93.18 76.16 4.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 39.7 tptt -40.9 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 38.5 mt -136.24 154.98 77.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 105.42 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 44.2 m-85 -100.56 -31.65 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -46.28 -29.5 3.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HG3' HD23 ' A' ' 99' ' ' LEU . 15.0 pt-20 -76.6 -41.52 45.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD11 HD13 ' A' ' 25' ' ' LEU . 11.2 mt -60.47 -26.82 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.607 HD22 ' CE2' ' A' ' 82' ' ' PHE . 7.8 mt -63.39 -60.27 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -125.0 122.77 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -45.64 145.21 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -124.1 30.27 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.91 -81.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 174.28 9.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.1 p 39.33 35.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.8 t -116.34 44.31 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -133.45 99.58 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 t -159.27 153.48 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.08 45.85 3.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -77.31 116.69 18.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -87.48 174.28 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.87 148.8 20.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.79 147.12 43.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.937 0.399 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -96.36 142.46 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.81 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 mt -78.72 138.66 38.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' OE1' ' NH1' ' A' ' 36' ' ' ARG . 5.6 mp0 -127.37 96.61 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.7 tt0 -68.31 143.3 95.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.564 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.7 175.55 7.91 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 33' ' ' LEU . 3.9 t -137.49 139.61 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 33' ' ' LEU . 7.9 m -103.69 115.5 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 34' ' ' ILE . 17.0 pt -124.48 150.78 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 14.5 m-85 -95.03 147.91 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -124.68 131.17 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.589 ' HB ' HG22 ' A' ' 84' ' ' VAL . 79.7 mt -123.33 140.8 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -68.09 131.09 44.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 30.6 t-20 -57.17 133.43 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 66.7 28.87 73.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -119.32 128.21 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.058 HD11 HD22 ' A' ' 94' ' ' LEU . 5.5 mt -134.97 4.75 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -97.79 -33.47 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.98 147.69 34.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -166.45 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.35 -175.67 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -135.0 102.38 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -67.49 102.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.64 123.41 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.826 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.8 tp -82.8 148.04 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 17' ' ' ILE . 6.8 mt -124.94 126.37 25.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HE3' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.962 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -46.61 -29.94 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.41 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 44' ' ' HIS . 3.3 m -83.78 -32.81 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 36' ' ' ARG . 18.1 mt -48.51 -33.94 10.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.68 -32.44 74.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -106.64 111.4 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.709 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 31.9 t-105 -61.26 -45.09 95.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.88 -48.21 70.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.494 ' CB ' HG23 ' A' ' 38' ' ' THR . 17.5 m170 -55.6 -38.96 70.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 34' ' ' ILE . 93.3 t -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 2.8 mm? -60.98 -39.54 90.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -32.48 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.42 ' HE1' HG23 ' A' ' 34' ' ' ILE . 45.7 mtp -88.61 -24.56 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 t -75.5 -36.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' HG23 ' A' ' 60' ' ' VAL . 23.7 m -65.85 -39.86 91.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -52.87 -32.36 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -92.23 -45.07 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 21' ' ' ALA . 45.1 mm -114.38 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -90.67 100.78 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.519 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.1 mp -69.36 157.58 36.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -68.81 -34.52 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 p -68.45 -35.56 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.96 -150.5 22.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.29 164.45 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.48 HG23 ' OG1' ' A' ' 50' ' ' THR . 11.8 t -86.82 146.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.57 -32.68 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -142.52 -176.28 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.709 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 2.7 mp -139.08 159.45 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.889 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 37.3 m-85 -148.32 130.8 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 69' ' ' LYS . 40.5 p -66.23 176.5 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.6 mt -71.71 -14.5 62.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -94.51 -19.06 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 114.05 5.41 21.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 65' ' ' THR . 27.6 tptt -62.72 159.58 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.889 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.9 tm? -114.92 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.711 HG22 ' OE1' ' A' ' 76' ' ' GLU . 26.2 t -123.46 119.18 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.808 ' HG3' HD11 ' A' ' 70' ' ' LEU . 10.7 mp0 -105.19 8.86 34.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.574 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.5 t -167.69 157.95 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -64.36 -2.24 6.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -28.29 68.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.711 ' OE1' HG22 ' A' ' 71' ' ' VAL . 15.5 mt-10 -93.06 11.98 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 90.3 mt -97.4 136.44 37.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.6 tt0 -120.8 166.61 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 13.3 p-10 -86.58 98.63 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.76 24.66 6.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.99 169.41 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.678 ' CD1' HD13 ' A' ' 100' ' ' LEU . 58.8 m-85 -114.07 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -150.5 127.25 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG22 ' HB ' ' A' ' 20' ' ' ILE . 98.0 t -80.85 138.0 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.33 107.92 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 64' ' ' TYR . 44.7 t -97.44 136.26 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -105.53 -122.83 5.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -91.63 42.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -146.69 166.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.11 158.2 29.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 70.2 t80 -74.33 117.52 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' LEU . 21.8 mtpt -78.7 95.27 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HE2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -47.57 88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 25' ' ' LEU . 13.8 mt -134.07 152.13 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 103.93 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.256 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.554 ' HB2' HD22 ' A' ' 66' ' ' LEU . 85.2 m-85 -97.95 -37.28 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -55.39 -18.8 15.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.13 -37.36 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' LEU . 11.6 mt -64.75 -21.05 66.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.678 HD13 ' CD1' ' A' ' 82' ' ' PHE . 1.8 mt -69.09 -63.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -130.43 124.88 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.0 132.53 55.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 p -56.58 -49.58 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -45.66 104.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 54.1 Cg_endo -69.78 130.89 20.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.381 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t 63.63 41.37 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 m -116.92 114.02 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -121.41 150.64 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -49.69 168.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.89 44.21 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p -101.28 83.53 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -123.31 -175.66 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.43 47.95 3.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -120.79 153.88 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -69.0 140.96 91.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.539 0.685 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLN . 10.8 mt -123.83 177.78 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 23.7 pt20 37.18 43.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.434 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 19.9 tp10 -59.58 138.68 89.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 54.0 Cg_endo -69.76 174.99 8.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.14 139.4 37.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.451 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 14.3 m -106.36 117.34 33.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 pt -127.5 156.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 89.2 m-85 -103.01 131.06 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.684 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.2 mm? -108.45 153.0 23.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.1 mt -142.68 144.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.4 121.5 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' CG ' HG22 ' A' ' 86' ' ' VAL . 39.3 t30 -56.89 130.8 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 92' ' ' LYS . . . 76.99 7.99 86.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.715 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.4 t70 -114.28 114.0 25.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 24' ' ' ASP . 2.9 mm? -121.12 24.42 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.16 -34.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -101.64 153.83 37.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.93 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.45 177.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -130.33 104.28 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.56 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 13.5 ttp180 -67.16 98.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' HB3' HD23 ' A' ' 19' ' ' LEU . 6.8 tp -114.09 132.81 55.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.5 tp -94.87 138.51 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.404 ' O ' HD11 ' A' ' 39' ' ' LEU . 7.0 mt -120.42 118.9 30.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.75 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tmt_? -32.02 -41.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.73 -50.45 44.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 45' ' ' VAL . 99.1 m -69.42 -40.21 77.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -45.47 -29.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -72.63 -35.63 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' HIS . 1.6 mp0 -100.81 75.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CE2' HD21 ' A' ' 46' ' ' LEU . 30.6 t-105 -35.85 -45.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -55.62 -45.16 77.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLN . 20.6 m170 -61.31 -29.21 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 38' ' ' THR . 74.2 t -69.03 -46.81 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CE2' ' A' ' 42' ' ' TRP . 3.1 mm? -63.89 -28.3 69.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.06 -22.64 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.545 ' SD ' HG21 ' A' ' 38' ' ' THR . 23.9 mtp -95.56 -49.25 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.919 ' CG1' HG11 ' A' ' 60' ' ' VAL . 1.5 p -48.22 -36.68 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.86 ' OG1' HG12 ' A' ' 60' ' ' VAL . 84.3 m -59.3 -44.57 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.44 -28.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.815 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.6 mm -112.29 96.92 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -99.35 115.86 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -91.66 141.73 28.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -52.78 -36.51 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -71.01 -29.91 65.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.04 177.18 16.89 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.61 164.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.919 HG11 ' CG1' ' A' ' 49' ' ' VAL . 8.2 p -82.67 148.86 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.62 -20.55 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -142.98 169.72 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.869 HD13 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -125.42 155.58 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.869 ' H ' HD13 ' A' ' 63' ' ' LEU . 36.7 m-85 -144.72 167.72 21.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 ' CD2' ' A' ' 83' ' ' TYR . 76.9 p -117.19 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.08 -18.28 58.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -86.83 -14.06 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.78 25.69 8.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 20.5 tptt -100.34 147.8 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 71' ' ' VAL . 4.1 tp -103.74 126.82 51.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.754 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.2 t -98.26 112.14 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.83 -15.43 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.5 p -141.64 168.76 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 28.81 2.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.57 -18.03 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.754 ' HB2' HG13 ' A' ' 71' ' ' VAL . 18.2 mt-10 -94.91 21.76 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.35 176.39 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.37 175.36 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -105.78 107.02 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.68 20.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -108.78 169.03 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CE1' HD13 ' A' ' 100' ' ' LEU . 60.6 m-85 -114.84 149.34 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.599 ' CD2' HG22 ' A' ' 65' ' ' THR . 15.8 m-85 -145.55 -179.32 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.8 t -136.87 132.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.815 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -89.6 112.08 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 22' ' ' ASN . 45.9 t -103.97 131.61 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.26 -142.1 12.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.21 -10.44 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -91.03 171.7 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 170.91 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 13.8 t80 -82.42 118.23 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -85.27 96.59 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 94' ' ' LEU . 2.5 tmtp? -70.38 93.36 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.6 mm? -128.2 157.5 74.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.25 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 69.0 m-85 -97.74 -36.03 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.47 -28.93 6.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 7.3 pt-20 -73.44 -42.73 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 25' ' ' LEU . 18.0 mt -58.58 -27.01 64.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.685 HD13 ' CE1' ' A' ' 82' ' ' PHE . 1.1 mt -66.2 -62.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.503 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -143.77 132.48 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.32 135.36 44.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 90.1 p -115.79 115.73 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.23 81.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -37.67 8.94 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -159.29 142.42 14.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.8 m -95.65 114.07 25.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -132.88 156.53 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -123.3 111.54 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.07 97.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 t -68.44 148.79 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -88.81 -46.13 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.78 136.07 29.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -40.29 152.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 151.0 44.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.3 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 pp -80.99 9.57 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -92.62 102.91 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 20.5 tt0 -82.16 141.09 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.8 Cg_endo -69.75 171.1 15.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.588 ' C ' HD12 ' A' ' 33' ' ' LEU . 21.5 m -130.8 133.03 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.51 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 m -95.29 107.73 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.2 pt -112.3 160.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.4 m-85 -106.09 143.77 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.732 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.1 mm? -117.14 155.92 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.592 HG21 ' CD1' ' A' ' 96' ' ' TYR . 72.2 mt -147.79 132.29 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . . . -64.71 115.0 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.76 123.95 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.3 37.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' HD22 ' A' ' 25' ' ' LEU . 19.8 t0 -77.11 112.04 13.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD11 ' A' ' 99' ' ' LEU . 3.9 mm? -120.13 27.89 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.0 mm -118.62 -40.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -98.75 149.94 36.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -166.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.09 -175.52 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -131.95 117.39 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 ttm105 -75.15 111.8 10.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 48' ' ' MET . 3.2 tp -133.72 142.69 48.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 15' ' ' CYS . 9.0 tp -105.1 142.95 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.3 mt -125.92 116.24 24.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.749 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 144.01 52.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -43.98 -49.11 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -45.97 -39.69 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 45' ' ' VAL . 54.4 m -83.29 -44.65 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -46.1 -31.39 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.4 mm100 -96.98 118.35 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 22.3 t-105 -67.83 -47.66 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.86 -41.72 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' CE1' HE21 ' A' ' 41' ' ' GLN . 3.5 m80 -63.41 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -70.0 -51.0 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.2 mm? -60.66 -25.21 66.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 10.0 tp60 -71.14 -30.41 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.2 ptm -93.05 -34.89 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' VAL . 54.5 t -58.57 -44.85 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.0 m -53.42 -40.61 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.11 -34.84 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -91.46 -45.9 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 55' ' ' LEU . 51.6 mm -115.19 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -102.02 99.74 9.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.4 mp -68.84 133.14 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -45.29 -37.23 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -67.63 -32.02 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.25 -157.78 27.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.425 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -71.63 179.41 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 t -86.97 139.64 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.425 ' CE1' ' O ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -126.41 -26.16 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.3 mmt85 -135.7 153.44 51.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -122.7 141.45 51.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 51.7 m-85 -145.33 141.39 28.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 83' ' ' TYR . 33.7 p -88.75 163.96 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.04 -22.41 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.42 -30.06 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.34 5.58 22.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 2.2 tmtt? -74.83 154.46 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 3.1 tm? -100.75 133.35 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG13 ' HB2' ' A' ' 76' ' ' GLU . 11.7 t -107.01 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HG3' HD12 ' A' ' 70' ' ' LEU . 30.1 mt-10 -63.66 -15.82 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.568 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 t -157.23 150.27 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -55.63 -11.5 4.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.9 -23.48 31.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.962 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.3 mt-10 -95.71 23.63 6.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 42.6 mt -106.68 117.27 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 tp10 -90.67 155.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.49 103.97 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.55 35.71 3.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.11 175.81 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.719 ' CE2' HD22 ' A' ' 100' ' ' LEU . 95.9 m-85 -114.24 148.51 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.71 ' CD2' HG22 ' A' ' 65' ' ' THR . 29.2 m-85 -150.41 136.11 18.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.33 135.3 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' HD22 ' A' ' 63' ' ' LEU . . . -90.85 111.67 23.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -99.65 124.86 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.1 -144.57 10.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -78.8 48.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -155.68 148.05 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 148.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 24.4 t80 -72.78 137.44 45.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -107.11 81.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 22.0 ttmt -52.76 108.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.802 HD13 ' CD2' ' A' ' 25' ' ' LEU . 19.3 mt -132.65 154.61 81.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 20' ' ' ILE . 90.4 m-85 -102.58 -30.01 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -48.6 -25.21 4.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.17 -34.73 42.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 25' ' ' LEU . 11.9 mt -70.4 -27.33 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' CE2' ' A' ' 82' ' ' PHE . 14.0 mt -55.9 -58.81 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -107.6 104.2 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.69 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.0 t -71.27 -44.61 64.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.23 153.21 29.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -15.47 36.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.3 m -59.22 150.11 26.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.5 m -47.37 -44.27 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -56.28 -53.05 61.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -38.94 157.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.7 176.69 17.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -151.8 113.56 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -104.27 92.1 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.72 -136.89 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -96.68 90.56 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.35 153.39 37.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -166.81 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.86 83.95 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.12 96.02 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -149.21 138.75 12.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.64 37.5 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -136.72 125.18 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.433 HG21 ' HD3' ' A' ' 31' ' ' ARG . 7.0 m -87.76 113.34 23.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.5 pt -125.58 152.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.669 ' C ' HD22 ' A' ' 19' ' ' LEU . 80.4 m-85 -96.56 141.29 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -118.57 155.75 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -147.15 137.19 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -64.37 122.85 17.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 5.8 t30 -48.67 133.89 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.782 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 60.17 31.97 74.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 8.6 t0 -119.39 113.15 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.814 HD21 ' HB3' ' A' ' 94' ' ' LEU . 6.3 mt -115.92 2.71 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mm -97.21 -33.35 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -103.41 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.22 178.26 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -141.35 111.19 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 16' ' ' THR . 26.3 ttm180 -57.67 102.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.4 tm? -113.59 117.95 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.5 tp -88.49 141.75 28.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 45' ' ' VAL . 37.7 mt -129.48 116.1 18.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.671 0.748 . . . . 0.0 111.122 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.9 Cg_endo -69.79 138.08 36.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 39' ' ' LEU . 5.2 tpt180 -37.28 -49.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -47.49 -48.69 27.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.2 m -71.95 -33.75 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 36' ' ' ARG . 9.1 mt -60.58 -12.65 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.02 -17.66 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -118.39 148.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CE2' HD21 ' A' ' 46' ' ' LEU . 1.9 t-105 -98.75 -40.57 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.89 -15.11 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -93.99 -36.76 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 46' ' ' LEU . 2.8 p -74.27 -44.62 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.512 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -60.78 -23.59 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.465 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 35.1 tp60 -83.17 -21.05 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 mtm -94.38 -37.9 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.625 HG23 ' HG ' ' A' ' 19' ' ' LEU . 4.8 p -57.91 -51.76 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.553 ' N ' HG13 ' A' ' 49' ' ' VAL . 67.6 m -42.56 -48.31 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 40.8 mt-10 -36.76 -41.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 7.2 mptt -84.25 -45.4 12.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HA ' ' A' ' 21' ' ' ALA . 33.4 mm -111.96 96.53 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -96.04 99.8 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 55' ' ' LEU . 8.0 mp -67.31 138.03 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -51.53 -38.77 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.5 p -67.43 -26.98 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.99 -109.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.09 175.2 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 85' ' ' ALA . 7.2 p -93.11 148.48 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.638 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -125.44 -23.19 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.904 ' O ' HD22 ' A' ' 63' ' ' LEU . 1.7 mtp180 -128.26 -179.16 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.904 HD22 ' O ' ' A' ' 62' ' ' ARG . 3.9 mm? -138.11 137.77 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CE1' HD13 ' A' ' 70' ' ' LEU . 11.8 m-85 -138.53 139.85 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.597 HG22 ' CD2' ' A' ' 83' ' ' TYR . 28.8 p -92.75 165.92 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.04 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.82 -18.31 62.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.52 22.42 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -99.15 144.22 28.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 64' ' ' TYR . 13.9 tp -97.69 142.94 28.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.966 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.5 t -109.48 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.06 -21.31 56.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 71' ' ' VAL . 90.7 p -146.08 175.89 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.22 29.3 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -18.81 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.966 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -98.13 25.75 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -101.44 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 17' ' ' ILE . 2.3 tp10 -158.45 158.98 35.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -85.94 127.63 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.52 55.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -120.56 170.15 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 100' ' ' LEU . 73.0 m-85 -110.21 145.82 36.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CD2' HG22 ' A' ' 65' ' ' THR . 94.7 m-85 -147.56 123.13 10.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 60.0 t -81.66 131.85 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.52 107.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 91' ' ' PHE . 34.9 t -97.35 118.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.84 -153.82 24.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.638 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 4.7 mmp_? -51.6 -24.93 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.1 163.15 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 170.55 12.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.803 ' HB2' HG21 ' A' ' 86' ' ' VAL . 19.0 t80 -89.52 105.77 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -75.75 80.35 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 5.6 tmtm? -40.13 113.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.814 ' HB3' HD21 ' A' ' 25' ' ' LEU . 59.9 mt -145.63 155.56 52.79 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 88.6 m-85 -102.21 -28.25 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -55.09 -17.61 10.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.96 -28.75 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 96' ' ' TYR . 1.7 mt -76.13 -16.56 59.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 82' ' ' PHE . 7.1 mt -73.51 -62.9 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -120.24 118.85 31.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.17 149.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 t -149.48 133.1 16.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.84 121.57 21.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.44 60.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 p -112.39 -57.58 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -62.43 115.0 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -158.78 119.51 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -135.15 141.65 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.79 129.98 2.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -125.09 157.43 36.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -130.95 158.87 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.23 149.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.545 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -134.43 51.14 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -82.29 152.79 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 178.98 3.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.3 pp -97.32 161.05 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -93.88 -76.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -163.57 136.98 4.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.634 0.73 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.469 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.73 165.1 32.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 m -137.77 125.49 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 4.7 m -91.04 102.8 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.0 pt -113.31 146.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.702 ' C ' HD22 ' A' ' 19' ' ' LEU . 94.5 m-85 -94.68 141.23 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.8 mm? -118.21 155.49 30.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -144.65 137.34 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.77 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' ND2' HG22 ' A' ' 86' ' ' VAL . 35.6 t-20 -63.59 130.2 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 8.88 85.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.488 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -110.9 114.52 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.904 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -121.11 20.44 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.3 mp -112.85 -40.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -93.86 148.04 34.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -175.09 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -134.87 101.1 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -58.62 117.92 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.06 130.18 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -97.21 139.76 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mt -125.79 126.6 24.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 144.74 55.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -52.02 -24.58 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -72.68 -28.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.7 m -98.08 -22.9 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.09 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.72 -38.88 77.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -89.47 119.28 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.444 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 36.2 t-105 -74.65 -26.13 59.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.9 -32.03 65.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.4 m170 -71.66 -30.65 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.77 -45.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -90.96 -30.63 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mtm -89.19 -25.93 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.8 p -68.99 -33.25 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.5 m -64.0 -43.29 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -49.23 -32.47 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -92.93 -44.63 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.4 mm -110.14 100.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.8 m -93.51 101.08 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.63 136.46 51.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -54.78 -28.3 47.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 p -82.04 -26.76 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.8 -134.28 4.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.5 -178.7 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.504 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 71.6 t -88.65 143.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -124.2 -23.29 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -154.83 157.74 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.66 156.91 21.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -151.65 129.19 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -73.59 -179.25 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.6 mt -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -89.49 -13.14 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.41 9.1 42.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -77.33 157.84 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 tp -114.53 124.93 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.916 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.1 t -99.33 87.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -4.93 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.2 t -165.66 150.55 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.98 -10.3 6.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.65 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.916 ' HB2' HG13 ' A' ' 71' ' ' VAL . 4.6 mt-10 -98.85 -17.7 18.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 83' ' ' TYR . 22.7 mt -58.25 165.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 17' ' ' ILE . 6.2 tp10 -141.49 162.57 35.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -93.18 118.51 31.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.95 13.6 58.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -105.49 -179.46 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.813 ' CE2' HD22 ' A' ' 100' ' ' LEU . 11.0 m-85 -120.99 151.18 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.428 ' CE2' HD23 ' A' ' 77' ' ' LEU . 78.9 m-85 -150.28 130.71 13.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 96' ' ' TYR . 58.9 t -85.32 134.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.87 118.53 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.58 HG22 ' ND2' ' A' ' 22' ' ' ASN . 39.5 t -115.09 130.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.42 -124.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -98.9 45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -150.15 136.8 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -36.22 152.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.1 t80 -80.39 122.33 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -79.5 85.68 5.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tmtt? -46.6 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 43.9 mt -143.16 153.41 59.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.05 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.686 ' HB2' HD22 ' A' ' 66' ' ' LEU . 87.4 m-85 -105.73 -32.31 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.657 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -60.35 -11.67 21.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.14 -31.64 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 25' ' ' LEU . 8.4 mt -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.813 HD22 ' CE2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -72.85 -65.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.4 112.46 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.49 167.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -135.49 131.31 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.47 -93.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 83.47 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 t -172.1 127.64 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -130.94 129.29 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 48.0 p 36.1 44.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -107.25 178.41 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.11 142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 p -101.84 143.3 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -52.99 -55.96 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.52 -104.88 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -145.7 126.03 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -102.69 143.55 26.82 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.94 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 19.2 mt -72.09 121.12 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 11' ' ' LEU . 1.3 mp0 -121.42 94.11 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -104.56 140.08 20.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.74 169.61 18.49 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 t -137.2 133.93 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.557 HG21 ' HE ' ' A' ' 31' ' ' ARG . 7.9 m -101.46 115.86 31.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 HD21 ' A' ' 19' ' ' LEU . 17.5 pt -122.93 154.0 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.812 ' C ' HD22 ' A' ' 19' ' ' LEU . 86.3 m-85 -99.66 143.24 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -125.07 151.13 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 100' ' ' LEU . 76.3 mt -140.45 153.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -81.43 133.19 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 86' ' ' VAL . 47.3 t30 -66.93 130.46 43.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.54 15.31 81.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -113.42 117.26 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.8 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.4 mm? -121.53 26.23 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -119.31 -40.27 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -97.29 136.96 21.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.76 2.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -78.53 175.42 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -130.93 123.24 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 16' ' ' THR . 10.4 ttt180 -73.26 117.64 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -132.37 135.51 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.4 tp -101.55 139.56 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 38' ' ' THR . 8.5 mt -125.65 117.98 24.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.8 139.35 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 7.4 tpt180 -37.24 -41.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -51.65 -46.31 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -74.25 -39.99 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -51.86 -34.35 40.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.51 -24.83 67.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -115.21 123.89 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' NE1' HD21 ' A' ' 46' ' ' LEU . 17.6 t-105 -74.4 -39.8 62.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.38 -44.51 88.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.632 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.2 m170 -55.73 -40.95 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.759 ' O ' HG12 ' A' ' 49' ' ' VAL . 48.2 t -62.85 -61.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.482 HD11 HD23 ' A' ' 63' ' ' LEU . 2.1 mm? -47.59 -23.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -85.38 -29.79 24.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' VAL . 8.6 mtm -88.26 -52.13 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.759 HG12 ' O ' ' A' ' 45' ' ' VAL . 2.1 p -46.46 -45.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.582 ' OG1' HG12 ' A' ' 60' ' ' VAL . 55.0 m -48.78 -55.15 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' THR . 25.9 mt-10 -38.52 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -41.81 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.94 97.09 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -93.76 103.88 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.31 156.34 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -62.69 -32.98 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -74.01 -29.22 61.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.55 -110.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.9 164.12 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.752 HG21 ' HB1' ' A' ' 85' ' ' ALA . 13.8 p -90.29 144.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -25.64 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.476 ' O ' HD22 ' A' ' 63' ' ' LEU . 33.3 mtm180 -132.08 163.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 46' ' ' LEU . 4.1 mm? -122.87 145.1 48.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 57.8 m-85 -142.53 129.32 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 83' ' ' TYR . 6.9 p -68.71 177.44 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 97' ' ' GLY . 5.9 mt -72.86 -16.54 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.9 -25.63 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.37 23.42 5.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 4.2 tmtt? -89.7 153.6 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 tm? -102.87 132.48 49.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.951 HG13 ' HB2' ' A' ' 76' ' ' GLU . 5.9 t -112.92 85.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.67 -24.31 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.732 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -148.64 158.88 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -63.74 -3.4 7.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.57 -24.8 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.951 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.4 mt-10 -93.26 19.11 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -97.05 161.43 13.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 81' ' ' GLN . 2.6 tt0 -142.38 156.72 45.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 6.0 p30 -71.42 101.67 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.45 41.09 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 40.7 mm-40 -116.87 170.03 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.847 ' CE2' HD22 ' A' ' 100' ' ' LEU . 48.8 m-85 -120.85 140.78 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CD2' HG22 ' A' ' 65' ' ' THR . 80.7 m-85 -146.76 128.45 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.12 137.71 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -92.26 119.68 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.615 HG22 ' ND2' ' A' ' 22' ' ' ASN . 45.7 t -113.48 129.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.3 -149.3 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -79.81 44.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.48 -177.24 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 150.8 39.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 18.4 t80 -80.98 110.1 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -73.38 85.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.15 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 25' ' ' LEU . 21.9 mt -133.64 150.61 75.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.428 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.74 110.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 79.3 m-85 -114.13 -30.39 6.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.3 -19.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 98' ' ' GLU . 12.7 mp0 -85.56 -37.67 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 25' ' ' LEU . 16.2 mt -64.23 -24.4 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.847 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt -64.39 -57.31 9.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -142.09 -176.31 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.71 141.09 1.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 98' ' ' GLU . 10.8 p -134.16 -53.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.28 -91.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.46 7.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.6 m 44.11 50.17 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.9 m -120.03 93.95 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -147.24 145.09 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -82.66 -55.01 4.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.68 105.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -103.08 -47.03 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 p -96.58 116.09 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.36 89.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -116.49 120.57 39.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -55.41 141.49 62.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 174.48 9.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 mt -42.41 -34.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 58.8 mt-30 -59.4 101.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 45.3 tt0 -80.63 140.36 51.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.593 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.87 170.55 16.45 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' C ' HD12 ' A' ' 33' ' ' LEU . 7.0 m -137.23 135.92 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.44 HG21 ' HE ' ' A' ' 31' ' ' ARG . 20.9 m -98.04 125.85 43.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 34' ' ' ILE . 24.2 pt -125.94 167.73 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.83 130.99 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.942 HD13 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -125.86 150.08 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.617 HG22 ' N ' ' A' ' 21' ' ' ALA . 42.1 mt -132.25 164.18 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.617 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -89.99 115.99 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.1 p-10 -52.19 118.09 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.05 -19.07 50.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.98 115.8 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 99' ' ' LEU . 1.4 mm? -118.42 24.22 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.4 mp -117.46 -46.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -95.76 142.33 24.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.36 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.07 -178.84 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.2 m -125.02 97.27 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HE ' HG21 ' A' ' 16' ' ' THR . 55.0 ttt180 -52.87 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 tp -119.62 130.02 54.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -87.1 150.54 23.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 17' ' ' ILE . 8.2 mt -131.94 119.38 16.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 111.145 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.89 49.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 12' ' ' GLN . 8.7 tpt180 -50.25 -26.4 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.3 tmtp? -70.0 -31.92 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.546 HG21 ' SD ' ' A' ' 48' ' ' MET . 93.6 m -89.35 -34.45 16.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.43 -24.39 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 24.4 p30 -79.14 -36.65 40.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 27.0 mm-40 -98.01 121.72 40.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.687 ' O ' HD23 ' A' ' 46' ' ' LEU . 10.2 t-105 -75.42 -27.49 59.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -81.04 -9.37 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.444 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.5 m170 -95.95 -31.51 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.854 HG13 HD22 ' A' ' 46' ' ' LEU . 2.8 p -80.96 -36.75 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.854 HD22 HG13 ' A' ' 45' ' ' VAL . 1.1 mm? -74.17 -13.25 60.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 42.2 tp60 -90.08 -22.56 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 38' ' ' THR . 12.9 ptm -96.27 -29.42 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.942 HG23 HD13 ' A' ' 19' ' ' LEU . 7.3 p -65.24 -44.16 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 49' ' ' VAL . 55.3 m -52.29 -45.51 65.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -52.17 -25.71 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -101.31 -30.23 11.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -121.38 86.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.2 m -84.44 104.5 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.52 162.36 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 14.5 ttp-105 -67.27 -44.54 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.51 -27.93 68.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.86 -117.99 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.23 166.53 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG13 HD12 ' A' ' 46' ' ' LEU . 12.5 p -86.86 154.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' N ' HG22 ' A' ' 60' ' ' VAL . 2.5 m80 -132.27 -32.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -129.48 166.95 18.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.0 mm? -121.03 153.84 36.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 42.0 m-85 -152.08 130.67 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.8 p -74.1 -178.18 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.8 mt -75.27 -15.3 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -91.05 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.98 19.12 9.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -75.8 162.1 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 72' ' ' GLU . 2.7 tp -118.16 123.92 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.985 HG13 ' HB2' ' A' ' 76' ' ' GLU . 2.6 t -110.41 81.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' HG3' HD21 ' A' ' 70' ' ' LEU . 43.9 mt-10 -66.36 -25.48 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.768 ' O ' HG12 ' A' ' 71' ' ' VAL . 19.1 t -134.16 170.21 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.37 20.71 6.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -101.59 23.8 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.84 165.29 12.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -151.63 169.28 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.63 131.85 34.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.2 29.68 75.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.623 ' NE2' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -101.13 147.02 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.732 ' CE2' HD22 ' A' ' 100' ' ' LEU . 69.4 m-85 -97.92 131.9 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE1' ' NE2' ' A' ' 81' ' ' GLN . 80.2 m-85 -130.67 175.23 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' TYR . 98.9 t -129.27 130.32 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.59 108.36 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 91' ' ' PHE . 53.1 t -104.41 129.01 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.86 -150.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 58.9 mtt-85 -76.41 47.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.47 -178.54 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -75.49 146.72 40.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.9 t80 -79.86 99.41 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -67.13 77.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.2 ttpm? -42.82 120.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.8 mt -148.26 155.36 42.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 95.9 m-85 -100.71 -35.06 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.542 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.93 -17.4 1.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.544 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.07 -32.68 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 25' ' ' LEU . 9.3 mt -72.06 -23.95 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 82' ' ' PHE . 5.4 mt -62.78 -61.24 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -144.99 129.4 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -77.99 131.76 37.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -40.94 -53.31 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.3 142.03 9.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.4 68.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.3 t -117.3 42.1 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -51.11 170.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -123.45 150.85 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -134.61 108.95 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.26 -119.83 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m 57.57 46.31 17.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.814 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -130.96 111.42 12.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -120.38 4.76 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -60.05 131.53 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -93.13 143.74 27.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.95 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 14.1 mt -69.68 77.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 11' ' ' LEU . 8.3 mp0 -131.85 90.29 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.96 132.25 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.805 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.76 164.68 33.64 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 17' ' ' ILE . 42.6 t -134.97 91.71 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.8 m -61.69 106.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 15' ' ' CYS . 15.8 pt -119.32 150.69 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.766 ' C ' HD22 ' A' ' 19' ' ' LEU . 26.5 m-85 -102.28 145.67 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -119.69 153.12 36.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.21 148.22 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -80.78 121.18 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.24 116.88 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.34 -16.7 55.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 25' ' ' LEU . 3.4 t0 -87.66 113.39 23.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.947 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -120.73 28.56 7.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.5 mm -118.39 -38.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.7 145.57 30.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.52 174.62 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -127.48 96.46 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 27.1 ttp180 -49.36 105.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.2 tp -122.14 117.52 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.092 HD23 ' N ' ' A' ' 34' ' ' ILE . 5.7 tt -89.33 148.22 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.092 ' N ' HD23 ' A' ' 33' ' ' LEU . 26.6 mt -133.03 130.47 21.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.76 129.26 17.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' PRO . 4.9 tpt180 -36.22 -38.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 1.3 tmmt? -51.67 -47.92 63.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 HG22 ' A' ' 45' ' ' VAL . 5.6 m -68.11 -42.72 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.43 HD21 ' HB ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -45.81 -39.7 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -46.61 -34.83 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -106.09 166.74 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 15.6 t-105 -110.84 -34.91 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.16 -35.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -69.23 -40.21 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 38' ' ' THR . 80.1 t -58.08 -58.8 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.573 HD22 HG22 ' A' ' 60' ' ' VAL . 49.6 mt -50.57 -39.12 48.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -50.89 -30.08 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' ' 34' ' ' ILE . 24.9 mtm -92.4 -33.82 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG11 ' A' ' 60' ' ' VAL . 40.4 t -60.78 -38.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.543 ' OG1' HG12 ' A' ' 60' ' ' VAL . 93.1 m -66.96 -37.95 85.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.63 -32.01 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 32' ' ' LEU . 61.9 mmtt -96.16 -43.58 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 21' ' ' ALA . 39.8 mm -115.99 97.86 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.8 m -98.44 101.71 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD13 ' H ' ' A' ' 87' ' ' GLY . 16.3 mt -69.39 138.87 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -47.13 -40.5 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -65.68 -31.21 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.73 -142.55 9.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.03 178.25 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.573 HG22 HD22 ' A' ' 46' ' ' LEU . 2.1 p -95.29 126.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.17 -29.52 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -136.24 158.7 43.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 46' ' ' LEU . 3.9 mm? -115.64 148.09 40.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -140.18 126.57 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -75.54 166.47 23.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.97 -28.66 62.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -77.89 -17.25 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 4.8 47.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.55 149.44 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 71' ' ' VAL . 17.0 tp -98.54 144.12 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 76' ' ' GLU . 67.9 t -116.64 84.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -56.84 -23.29 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ALA . 29.6 m -153.18 142.07 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.531 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.76 -21.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -43.34 -22.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.729 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.5 mt-10 -89.76 -32.59 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 83' ' ' TYR . 79.5 mt -46.51 164.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' N ' ' OH ' ' A' ' 83' ' ' TYR . 20.7 tt0 -147.34 160.19 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -78.57 121.02 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.56 39.32 25.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -122.52 168.31 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CE2' HD22 ' A' ' 100' ' ' LEU . 59.8 m-85 -112.38 144.5 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.585 ' CE2' HD23 ' A' ' 77' ' ' LEU . 53.9 m-85 -145.64 139.18 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.603 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.6 t -98.83 140.36 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' HB1' ' HB ' ' A' ' 60' ' ' VAL . . . -89.51 128.57 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.6 t -121.19 115.5 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 55' ' ' LEU . . . -74.75 -143.64 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -83.61 44.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.21 153.86 40.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 157.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 25.1 t80 -86.28 125.72 33.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -90.81 87.48 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -51.89 106.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.813 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.2 mt -134.05 153.34 79.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.92 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.603 ' CE2' HG21 ' A' ' 84' ' ' VAL . 62.4 m-85 -99.7 -32.57 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -51.81 -26.29 17.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.35 -37.29 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.947 HD11 HD13 ' A' ' 25' ' ' LEU . 16.9 mt -66.47 -28.86 68.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.739 HD22 ' CE2' ' A' ' 82' ' ' PHE . 24.3 mt -55.25 -58.58 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -147.09 -175.14 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -135.84 159.17 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 t -47.37 -44.27 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -42.29 102.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.7 Cg_endo -69.74 88.27 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -71.28 143.05 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 p -95.42 87.81 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -73.61 91.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -102.29 -55.76 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.68 74.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -154.98 157.32 37.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -138.86 135.35 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.34 -92.27 0.67 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -83.88 43.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -91.95 132.64 32.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' LEU . 53.3 Cg_endo -69.84 160.31 50.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -37.57 -53.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.6 tp60 48.53 53.19 12.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -124.99 156.5 69.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.81 142.77 48.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.649 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.7 m -116.58 145.49 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -105.77 113.07 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 pt -120.78 155.65 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.851 ' C ' HD22 ' A' ' 19' ' ' LEU . 33.5 m-85 -100.4 151.82 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -124.07 153.76 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.2 mt -147.68 131.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -59.29 129.42 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -59.69 116.1 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 85.6 29.64 26.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.03 110.33 16.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 94' ' ' LEU . 13.2 mt -110.65 -1.71 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.97 -31.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -99.47 137.16 20.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.665 2.244 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -89.34 179.84 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -136.17 116.05 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 31' ' ' ARG . 19.5 ttp-105 -73.45 112.67 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.89 124.53 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.4 tp -86.27 145.82 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.86 121.12 21.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.74 136.22 32.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG2' ' NE2' ' A' ' 12' ' ' GLN . 15.2 tpp180 -39.43 -40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.02 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -75.14 -43.74 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.69 -33.14 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -40.29 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -93.3 116.29 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.5 t-105 -70.09 -35.45 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.26 -42.23 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.481 ' HB3' HG23 ' A' ' 38' ' ' THR . 17.0 m170 -58.64 -36.55 74.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.42 -40.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.94 -24.94 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 22.3 tp60 -80.69 -22.47 40.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mtm -95.53 -40.18 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 19' ' ' LEU . 5.3 p -53.42 -27.15 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -71.62 -47.34 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -44.17 -33.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -92.46 -45.25 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 21' ' ' ALA . 38.6 mm -115.84 97.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -93.46 99.77 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' OD1' ' A' ' 22' ' ' ASN . 17.0 mt -67.02 138.79 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.9 ptt180 -53.18 -32.73 49.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 32.0 m -76.24 -18.06 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.02 -143.42 12.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.86 175.85 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 85' ' ' ALA . 66.9 t -89.69 139.97 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 2.1 m80 -118.14 -31.19 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' O ' HD22 ' A' ' 63' ' ' LEU . 16.2 ptp180 -138.27 167.35 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 85' ' ' ALA . 4.2 mm? -122.24 147.61 46.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -141.29 132.81 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 p -76.88 168.18 20.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 66' ' ' LEU . 1.9 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.14 29.68 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 6.7 tmtm? -96.51 150.8 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 20.3 tp -99.58 129.84 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.871 HG13 ' HB2' ' A' ' 76' ' ' GLU . 76.3 t -104.19 81.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.9 -29.69 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.7 t -148.36 141.56 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.551 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.82 -21.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.3 -29.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.871 ' HB2' HG13 ' A' ' 71' ' ' VAL . 28.3 mt-10 -81.16 -29.84 34.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.491 HD12 ' CA ' ' A' ' 74' ' ' GLY . 39.2 mt -51.39 164.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -137.62 155.4 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.23 110.01 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.69 43.8 6.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -128.11 166.51 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 m-85 -103.42 141.59 35.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 95.7 m-85 -144.68 131.3 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.591 HG21 ' CE2' ' A' ' 96' ' ' TYR . 81.0 t -83.8 129.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.33 112.66 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 91' ' ' PHE . 24.6 t -101.88 137.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.99 -159.49 23.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 27.7 mtp85 -45.03 -33.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.3 154.82 37.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.68 175.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HB2' HG21 ' A' ' 86' ' ' VAL . 22.3 t80 -94.35 109.24 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -73.07 82.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -42.59 113.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.727 HD12 ' HA2' ' A' ' 23' ' ' GLY . 49.1 mt -151.67 152.65 30.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.591 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.2 m-85 -98.75 -37.05 9.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.452 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -52.74 -22.25 11.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -77.38 -34.28 54.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.47 HD11 HD23 ' A' ' 25' ' ' LEU . 9.3 mt -66.97 -23.49 65.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 82' ' ' PHE . 12.3 mt -68.39 -53.19 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -127.02 125.41 41.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.7 t0 65.08 38.45 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.3 p -45.58 104.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.38 114.78 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.42 69.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.2 m -45.97 105.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 m -159.13 177.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 9.3 tp10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 53.9 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.23 128.45 47.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 11.0 m -100.87 102.39 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 34' ' ' ILE . 21.6 pt -112.53 151.73 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.1 m-85 -99.79 140.67 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.1 mm? -113.41 155.15 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 19' ' ' LEU . 71.2 mt -147.01 134.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 125.31 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -65.31 129.14 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 84.38 7.94 84.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -110.68 116.65 31.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.747 HD13 HD11 ' A' ' 99' ' ' LEU . 4.3 mm? -119.48 29.0 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.0 mp -121.65 -36.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -97.06 142.92 25.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.22 179.95 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -136.63 108.98 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.548 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 50.0 ttp85 -69.42 108.48 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.56 144.84 48.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.0 tp -107.31 139.47 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 17' ' ' ILE . 1.7 mt -120.73 119.76 29.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 150.36 68.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -58.28 -32.81 68.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.6 ptmm? -62.71 -29.09 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 44' ' ' HIS . 5.3 m -97.4 -33.36 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.93 -44.17 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.7 p30 -58.63 -40.99 84.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -93.13 95.14 9.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 47.0 t-105 -51.81 -42.35 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 43' ' ' ASP . 4.8 t0 -55.46 -40.35 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 38' ' ' THR . 18.4 m170 -64.89 -32.69 74.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.52 -52.36 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD21 ' NE1' ' A' ' 42' ' ' TRP . 1.9 mm? -57.43 -35.98 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 31.3 tp60 -62.52 -27.14 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.418 ' SD ' HG21 ' A' ' 38' ' ' THR . 34.6 mtp -93.99 -37.75 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.99 -37.29 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.6 m -62.88 -40.69 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -52.03 -30.5 25.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -96.54 -40.06 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mm -122.5 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -89.36 101.13 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.35 143.08 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -57.99 -28.15 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.9 p -74.35 -19.0 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.48 -111.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.49 178.57 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 t -90.42 142.88 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.5 m-70 -123.74 -21.56 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -155.39 157.94 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -114.4 155.47 26.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -144.01 130.94 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.648 HG22 ' CE2' ' A' ' 83' ' ' TYR . 58.7 p -77.09 172.31 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.28 -16.14 63.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.13 -17.2 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.15 19.59 11.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -81.78 160.35 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tp -118.62 121.31 39.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.0 t -103.76 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.596 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 34.9 mt-10 -82.68 -19.41 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 71' ' ' VAL . 84.4 p -143.28 179.54 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -81.99 26.5 3.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.84 -27.03 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.708 0.29 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.822 ' HB2' HG13 ' A' ' 71' ' ' VAL . 24.3 mt-10 -89.88 -8.48 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 71.3 mt -64.76 172.51 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -152.04 173.6 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -99.04 105.82 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.13 43.54 7.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -119.46 165.53 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.1 m-85 -105.67 141.86 36.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 65' ' ' THR . 70.3 m-85 -142.98 166.1 25.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 96' ' ' TYR . 32.8 t -121.84 139.95 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.78 109.12 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.443 HG13 ' OD1' ' A' ' 89' ' ' ASP . 38.6 t -107.28 123.57 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.63 -136.75 3.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 19.4 mtp85 -83.79 40.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD1' HG13 ' A' ' 86' ' ' VAL . 11.3 p30 -134.68 179.78 6.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.6 mppt? -83.44 155.09 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 83.2 t80 -73.78 112.63 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 43.2 mttp -86.55 74.69 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.459 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 13.1 tptp -39.56 96.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.712 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -121.6 154.82 60.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 84' ' ' VAL . 79.7 m-85 -102.72 -31.62 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.83 -18.49 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -85.49 -37.27 19.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.747 HD11 HD13 ' A' ' 25' ' ' LEU . 14.5 mt -64.15 -27.15 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.639 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.75 171.39 14.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.734 2.289 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -136.42 132.98 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 8.7 m -98.37 112.84 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.86 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.0 pt -119.8 159.74 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.73 ' C ' HD22 ' A' ' 19' ' ' LEU . 95.5 m-85 -106.67 138.57 42.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.769 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -120.54 151.21 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 52.3 mt -141.34 143.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -73.26 123.51 23.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.99 127.39 31.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.87 7.54 66.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.544 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.1 t70 -111.71 120.26 41.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -125.04 16.17 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -111.79 -43.5 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.34 143.03 27.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -171.0 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.32 -177.53 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.46 122.89 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HE ' HG21 ' A' ' 16' ' ' THR . 31.2 ttt180 -76.21 113.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.55 141.65 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 14' ' ' PRO . 4.6 tp -104.36 139.65 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.448 HG12 ' HE1' ' A' ' 48' ' ' MET . 53.1 mt -121.33 118.69 29.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.08 49.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -44.19 -60.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -40.64 -28.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 44' ' ' HIS . 53.2 m -93.02 -41.32 10.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.3 mt -45.65 -36.85 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.1 p30 -65.53 -39.35 91.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 36.4 mt-30 -90.67 120.2 31.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -70.88 -43.55 68.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.22 -45.82 79.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.707 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.9 m170 -56.82 -33.95 67.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.91 -59.09 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -22.13 2.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -76.76 -33.37 58.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.448 ' HE1' HG12 ' A' ' 34' ' ' ILE . 34.7 mtp -87.85 -31.98 19.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.747 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 p -65.67 -36.12 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -64.97 -48.0 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -49.31 -27.66 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -97.97 -37.49 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 21' ' ' ALA . 7.0 mm -118.59 95.09 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -86.08 107.0 17.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.8 mp -82.98 166.23 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -52.52 -31.85 37.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.4 t -74.1 -30.54 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.33 -12.45 33.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.66 149.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.474 HG21 ' HB1' ' A' ' 85' ' ' ALA . 72.3 t -88.22 154.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 5.7 m-70 -129.43 -32.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -138.87 155.74 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 mm? -115.67 161.28 18.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 55.8 m-85 -153.11 142.14 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 83' ' ' TYR . 68.6 p -83.05 -179.46 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -86.31 -13.27 47.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -89.13 -17.07 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.09 31.36 3.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -110.93 162.43 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -123.58 144.06 49.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 73' ' ' SER . 40.9 t -107.64 136.18 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HG3' HD21 ' A' ' 70' ' ' LEU . 11.2 mt-10 -115.63 4.22 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.553 ' H ' HG12 ' A' ' 71' ' ' VAL . 1.7 t -172.36 -178.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.96 17.83 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.03 27.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.5 mt-10 -88.98 -28.94 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt -46.06 127.58 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.86 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.1 tt0 -110.32 171.22 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.69 102.07 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.57 6.35 57.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 2.6 tp-100 -94.02 171.8 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.713 ' CD2' HD22 ' A' ' 100' ' ' LEU . 32.0 m-85 -111.96 133.98 53.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 65' ' ' THR . 85.2 m-85 -132.84 127.08 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.008 HG21 ' CE2' ' A' ' 96' ' ' TYR . 39.1 t -83.1 134.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -94.3 126.47 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.81 128.94 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -154.44 23.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 17.8 mmm180 -54.88 -15.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.53 171.4 14.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 167.04 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 7.9 t80 -87.55 119.32 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -82.33 92.05 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -48.38 94.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 25' ' ' LEU . 17.1 mt -130.28 150.74 77.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 104.23 1.28 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 1.008 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.8 m-85 -99.27 -36.28 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -16.12 15.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.26 -36.76 24.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 25' ' ' LEU . 12.2 mt -65.01 -22.97 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.713 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.81 168.57 21.24 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -132.31 109.13 9.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.497 HG21 ' NE ' ' A' ' 31' ' ' ARG . 9.2 m -75.39 123.52 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 19' ' ' LEU . 22.9 pt -129.71 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 96.3 m-85 -103.83 131.08 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -110.95 148.54 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.23 135.72 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 126.71 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -60.7 136.41 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.82 16.06 80.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -115.97 119.74 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.961 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -125.01 23.81 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.672 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -115.85 -48.98 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -87.64 145.66 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -168.8 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.83 -174.94 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.424 ' OG ' HD11 ' A' ' 53' ' ' ILE . 4.8 p -137.06 110.1 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.497 ' NE ' HG21 ' A' ' 16' ' ' THR . 7.5 ttt85 -68.16 96.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -113.91 121.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 14' ' ' PRO . 5.9 tp -87.76 137.32 32.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 45' ' ' VAL . 17.5 mt -122.55 124.45 26.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.737 . . . . 0.0 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.02 58.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -43.95 -41.81 5.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.7 m -76.96 -37.74 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.4 -21.08 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -77.83 -30.83 51.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -107.16 93.24 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HZ3' HD11 ' A' ' 77' ' ' LEU . 13.2 t-105 -42.67 -45.88 4.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.01 -42.99 81.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.9 m170 -64.58 -37.31 87.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 34' ' ' ILE . 45.3 t -60.02 -50.01 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.96 -42.58 94.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -47.42 -33.49 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.2 mtp -90.63 -39.83 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.96 -42.22 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.5 m -60.2 -40.38 89.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.77 -30.72 24.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.64 -38.45 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.424 HD11 ' OG ' ' A' ' 30' ' ' SER . 46.5 mm -120.15 94.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -106.34 101.46 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.682 HD12 ' H ' ' A' ' 55' ' ' LEU . 1.6 mp -74.33 154.4 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -61.95 -32.11 72.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.9 p -66.72 -35.3 79.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.83 -162.0 29.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 175.15 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 48.2 t -88.52 143.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -122.33 -29.46 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -145.33 166.36 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mm? -119.06 160.12 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 65.4 m-85 -155.06 126.14 7.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.402 HG22 ' CD2' ' A' ' 83' ' ' TYR . 70.9 p -71.87 179.12 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 96' ' ' TYR . 5.0 mt -75.96 -16.53 59.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.06 -15.93 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.01 21.49 10.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -91.15 142.31 27.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' CZ ' ' A' ' 64' ' ' TYR . 15.5 tp -98.87 132.01 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 76' ' ' GLU . 92.2 t -112.43 99.92 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -92.31 7.16 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 5.4 t -151.81 158.93 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 29.93 2.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -22.17 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 71' ' ' VAL . 17.5 mt-10 -83.93 -22.51 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 ' HZ3' ' A' ' 42' ' ' TRP . 52.5 mt -66.12 145.36 55.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -131.13 162.34 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 7.1 p-10 -80.96 106.68 13.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.81 37.32 5.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -122.31 174.81 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.6 m-85 -114.85 153.28 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 76.8 m-85 -158.56 131.05 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.8 t -88.62 135.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.26 121.7 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.75 118.57 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.94 -133.97 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 9.1 mtp-105 -86.72 44.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.73 174.95 10.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.98 162.59 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 64' ' ' TYR . 86.6 t80 -82.08 102.2 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -66.69 79.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -42.55 99.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 25' ' ' LEU . 9.1 mt -136.07 151.36 73.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 84' ' ' VAL . 87.1 m-85 -105.44 -33.93 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.74 -15.79 14.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.67 -36.71 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 25' ' ' LEU . 13.3 mt -65.88 -27.08 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.1 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.0 Cg_endo -69.81 159.58 52.83 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.377 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' C ' HD12 ' A' ' 33' ' ' LEU . 19.1 m -130.19 125.01 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -89.56 121.35 31.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 19' ' ' LEU . 26.5 pt -127.74 147.54 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 81.2 m-85 -95.98 135.04 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -113.94 138.19 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 59.2 mt -128.51 148.97 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -74.95 122.2 23.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -56.53 114.69 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.26 -3.29 58.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.11 110.31 22.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -114.24 19.31 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 mp -114.54 -46.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.6 m-80 -91.11 143.18 28.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -89.92 -175.92 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -130.02 105.48 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -55.46 96.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' HD23 ' A' ' 19' ' ' LEU . 25.5 tp -117.43 137.31 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 14' ' ' PRO . 6.2 tp -107.77 149.33 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.442 ' N ' ' HG ' ' A' ' 33' ' ' LEU . 49.3 mt -130.57 124.38 20.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.728 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -36.19 -54.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -43.99 -48.94 8.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 44' ' ' HIS . 99.2 m -71.18 -41.08 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.2 mt -48.6 -23.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.62 -37.49 73.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.04 124.9 48.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 35.9 t-105 -71.29 -44.21 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -31.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.519 ' HB3' HG23 ' A' ' 38' ' ' THR . 18.9 m170 -72.98 -27.03 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.55 -50.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.3 mm? -56.87 -37.82 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 17.0 tp60 -55.53 -33.04 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.5 mtp -93.31 -37.53 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.14 -36.49 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.0 m -63.53 -41.23 98.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.23 -37.45 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.1 mptt -89.22 -45.3 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 21' ' ' ALA . 37.7 mm -113.2 99.96 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -98.89 102.43 14.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 mt -71.92 144.58 48.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.44 -20.12 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -86.29 -8.38 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.18 -163.9 21.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.75 167.07 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 t -79.34 149.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -125.2 -30.9 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' VAL . 36.6 mtm180 -147.19 178.46 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.657 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 3.9 mp -139.54 158.8 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.68 ' OH ' HD12 ' A' ' 70' ' ' LEU . 28.0 m-85 -148.88 133.75 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -68.32 173.48 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.675 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -71.88 -10.67 60.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -93.39 -16.34 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 -5.48 24.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -60.55 160.35 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.68 HD12 ' OH ' ' A' ' 64' ' ' TYR . 7.1 tt -118.65 137.35 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.4 t -119.4 106.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 32.9 mt-10 -87.39 -21.69 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 71' ' ' VAL . 85.1 p -141.37 179.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.72 23.5 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.22 -22.92 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.763 ' HB2' HG13 ' A' ' 71' ' ' VAL . 12.8 mt-10 -96.71 9.81 40.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.29 -177.6 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -160.05 156.51 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -83.13 113.01 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.81 35.63 15.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -120.75 174.17 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.888 ' CE2' HD22 ' A' ' 100' ' ' LEU . 19.2 m-85 -112.2 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -147.78 129.32 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 96' ' ' TYR . 44.1 t -81.82 137.82 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.47 109.01 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.434 HG21 ' CD1' ' A' ' 64' ' ' TYR . 74.2 t -105.32 127.34 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.55 -136.64 5.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 32.8 mtp180 -86.75 39.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.78 166.75 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -64.19 162.74 13.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 93' ' ' LYS . 8.6 t80 -95.86 114.94 26.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -74.53 102.03 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 91' ' ' PHE . 5.9 tmtt? -56.93 91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 25' ' ' LEU . 75.6 mt -129.19 151.51 77.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.92 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.456 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.5 m-85 -101.43 -33.79 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -61.16 -14.13 38.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -84.52 -29.23 26.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 25' ' ' LEU . 7.0 mt -72.96 -18.93 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.888 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.1 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.22 19.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.1 t -127.13 144.88 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -112.51 109.2 18.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 34' ' ' ILE . 22.1 pt -119.98 153.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.599 ' C ' HD22 ' A' ' 19' ' ' LEU . 22.2 m-85 -100.85 137.39 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.9 mm? -112.68 148.2 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 96' ' ' TYR . 45.1 mt -142.02 142.0 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -73.65 118.88 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.2 p-10 -57.46 118.3 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.04 6.76 55.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.964 HD13 HD11 ' A' ' 99' ' ' LEU . 4.2 mm? -113.83 8.57 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.6 mp -105.94 -37.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.33 139.43 24.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -169.55 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.28 177.1 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -131.23 104.83 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -62.46 99.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 19' ' ' LEU . 12.4 tp -110.97 137.05 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 15' ' ' CYS . 6.1 tp -100.92 141.67 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' THR . 2.1 mt -126.98 119.43 22.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.45 57.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -46.41 -43.57 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.7 pttm -52.77 -32.35 43.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 45' ' ' VAL . 55.1 m -80.4 -40.89 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -35.21 26.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -56.58 -28.7 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.3 mm100 -114.28 143.0 45.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 31.8 t-105 -90.97 -27.89 18.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.51 -28.69 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -74.09 -21.08 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 38' ' ' THR . 47.9 t -79.17 -41.58 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.28 -38.69 91.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 19.7 tp60 -56.9 -32.26 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.3 mtp -91.01 -26.55 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 HG21 ' A' ' 60' ' ' VAL . 21.5 t -68.57 -40.59 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.692 ' OG1' HG23 ' A' ' 60' ' ' VAL . 46.6 m -61.26 -40.01 92.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -47.47 -31.47 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -96.57 -46.08 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 34.0 mm -108.87 95.45 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -95.53 109.09 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.94 135.89 34.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -53.66 -20.84 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -26.64 35.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.22 -138.42 6.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.36 178.94 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG23 ' OG1' ' A' ' 50' ' ' THR . 13.6 t -82.88 140.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 35.0 m-70 -121.06 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.674 ' O ' HD22 ' A' ' 63' ' ' LEU . 19.7 mtp85 -136.92 176.82 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 62' ' ' ARG . 4.2 mm? -133.0 141.04 48.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -140.6 129.33 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.9 p -71.66 -174.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.685 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.08 -9.38 59.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -95.26 -21.08 18.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.14 15.04 12.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -81.76 160.37 23.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.53 133.17 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.95 HG13 ' HB2' ' A' ' 76' ' ' GLU . 4.0 t -112.25 84.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.87 -28.27 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.776 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.5 p -142.01 160.55 39.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.99 0.17 12.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.77 -15.6 62.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.95 ' HB2' HG13 ' A' ' 71' ' ' VAL . 3.6 mt-10 -102.38 5.09 39.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.09 173.92 12.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -148.98 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -86.04 106.5 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 27.2 7.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -114.83 168.96 9.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' HD22 ' A' ' 100' ' ' LEU . 6.3 m-85 -114.16 144.33 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -143.23 138.97 30.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.8 t -91.15 140.64 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -94.45 109.02 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 91' ' ' PHE . 39.6 t -105.83 125.62 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.19 -140.92 2.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 28.9 mtm105 -85.93 39.4 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' HD3' ' A' ' 90' ' ' LYS . 8.3 t0 -140.93 158.12 44.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' HD3' ' CG ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -45.48 161.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 2.3 t80 -99.04 121.19 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -86.94 96.27 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -62.72 88.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 11.8 mt -116.26 153.4 48.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.222 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.709 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.3 m-85 -104.23 -32.78 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.509 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.81 -11.15 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -90.23 -33.58 16.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 25' ' ' LEU . 10.1 mt -71.25 -19.42 62.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.4 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.675 0.75 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.71 171.84 13.67 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -121.25 129.84 53.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -104.03 98.02 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 34' ' ' ILE . 23.4 pt -115.02 151.34 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.638 ' C ' HD22 ' A' ' 19' ' ' LEU . 39.7 m-85 -99.06 140.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.638 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -112.89 153.07 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.6 137.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.12 107.53 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' CE ' ' A' ' 92' ' ' LYS . 23.1 t30 -49.44 121.05 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -8.03 57.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.42 114.46 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -113.92 16.7 18.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.25 -42.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -93.51 141.45 23.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -168.2 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -84.9 -175.89 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -140.18 105.16 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 42.2 ttp180 -61.87 106.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 52' ' ' LYS . 6.0 tp -123.34 122.96 39.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 14' ' ' PRO . 6.9 tp -83.04 145.31 29.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 17' ' ' ILE . 13.1 mt -130.37 118.73 18.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.79 125.74 12.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.896 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tpp85 -35.51 -57.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -35.7 -43.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 54.6 m -75.83 -40.01 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.896 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -48.76 -25.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.05 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -111.67 106.5 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 14.4 t-105 -54.83 -39.66 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.29 -42.85 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -66.39 -38.19 86.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -58.23 -58.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 61' ' ' HIS . 65.3 mt -49.19 -42.33 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -48.17 -27.02 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.1 mtm -95.75 -29.98 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG12 HG21 ' A' ' 60' ' ' VAL . 75.0 t -64.95 -31.77 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -74.98 -30.44 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.45 -33.05 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' CG ' HD13 ' A' ' 32' ' ' LEU . 18.2 mmmt -98.31 -39.6 8.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.98 94.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.6 m -95.28 103.71 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.76 146.94 54.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 56' ' ' ARG . 18.6 ttp-105 -59.89 -38.15 81.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.4 m -69.69 -35.24 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.32 -137.36 4.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.86 -175.41 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG21 HG12 ' A' ' 49' ' ' VAL . 19.3 t -93.36 147.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 5.0 m-70 -127.78 -30.59 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -141.44 163.89 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 4.3 mm? -121.13 148.45 44.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . 63.3 m-85 -149.26 134.5 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.751 HG22 ' CE1' ' A' ' 83' ' ' TYR . 10.1 p -75.66 -174.67 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.1 mt -77.55 -9.28 58.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -95.54 -24.25 16.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 12.66 11.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 160.4 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 72' ' ' GLU . 6.5 tt -120.06 118.78 31.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.003 HG13 ' HB2' ' A' ' 76' ' ' GLU . 14.4 t -104.77 81.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 70' ' ' LEU . 22.5 mt-10 -57.52 -25.16 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.1 t -152.9 147.52 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.34 -20.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 1.003 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.2 mt-10 -103.97 -13.55 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 71' ' ' VAL . 25.8 mt -60.7 151.38 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 81' ' ' GLN . 6.0 tt0 -111.98 167.72 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 11.0 p-10 -94.46 103.67 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.53 24.84 34.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 24.5 tp60 -99.96 149.9 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.769 ' CD2' HD22 ' A' ' 100' ' ' LEU . 35.7 m-85 -90.73 117.8 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.751 ' CE1' HG22 ' A' ' 65' ' ' THR . 84.9 m-85 -114.13 176.2 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' TYR . 48.9 t -131.95 139.91 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.4 114.23 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.52 113.92 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.63 -141.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.494 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 29.2 mtt180 -83.41 40.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -134.77 171.23 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.11 146.64 45.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 69.0 t80 -64.61 106.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.491 ' CE ' ' ND2' ' A' ' 22' ' ' ASN . 38.4 mtmt -69.21 80.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -42.79 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 9.0 mt -141.45 151.43 60.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.552 0.691 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.02 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.754 ' HB2' HD22 ' A' ' 66' ' ' LEU . 90.2 m-85 -102.95 -32.55 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -53.87 -25.1 29.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 12.0 pt-20 -78.69 -41.45 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 25' ' ' LEU . 13.9 mt -56.4 -28.11 58.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.769 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.3 Cg_endo -69.66 166.45 27.44 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 36.3 m -124.59 138.47 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.403 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.5 m -105.78 109.15 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.62 HD13 HD22 ' A' ' 77' ' ' LEU . 18.4 pt -120.81 154.3 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 9.6 m-85 -105.14 130.84 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.704 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.1 mm? -105.83 157.63 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.732 HD11 HD21 ' A' ' 100' ' ' LEU . 68.0 mt -143.97 140.51 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -67.41 125.33 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.78 127.19 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.02 89.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -102.51 115.83 31.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 94' ' ' LEU . 3.8 mm? -114.96 23.0 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -118.54 -42.85 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.73 137.51 33.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.57 178.6 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -136.2 109.59 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -67.72 104.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -122.12 137.08 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.0 tp -96.89 139.47 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 45' ' ' VAL . 18.0 mt -123.47 114.78 28.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 145.46 56.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -47.04 -53.86 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.5 ptpp? -45.4 -24.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.8 m -99.27 -41.0 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.1 -43.14 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 2.2 p30 -59.7 -40.74 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.74 95.89 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.477 ' CE3' ' N ' ' A' ' 74' ' ' GLY . 19.2 t-105 -58.43 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -71.73 -21.31 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.8 m170 -85.3 -33.16 22.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 49' ' ' VAL . 84.2 t -65.23 -40.24 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 61' ' ' HIS . 84.4 mt -68.26 -39.62 82.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -59.34 -30.28 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 38' ' ' THR . 41.0 mtp -91.25 -36.74 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 45' ' ' VAL . 24.9 t -59.26 -37.62 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.0 m -64.47 -33.8 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -56.57 -25.31 51.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -102.75 -40.93 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.22 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -82.68 100.41 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.22 135.21 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -47.44 -40.27 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -67.89 -30.93 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.01 -121.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.24 175.47 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG13 HD22 ' A' ' 46' ' ' LEU . 14.0 p -90.96 141.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 46' ' ' LEU . 2.7 m-70 -119.8 -18.74 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 63' ' ' LEU . 9.7 ptp180 -146.98 168.45 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.5 mm? -123.52 156.77 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 64.4 m-85 -150.57 131.22 13.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.609 HG22 ' CE2' ' A' ' 83' ' ' TYR . 68.2 p -74.92 176.25 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.05 -12.49 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.59 -11.9 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.42 -11.78 30.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.16 150.55 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 63' ' ' LEU . 7.6 tp -114.11 140.24 48.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.706 HG13 ' HB2' ' A' ' 76' ' ' GLU . 26.0 t -112.04 97.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.75 -8.36 53.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 14.8 t -163.23 146.02 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -51.67 -15.34 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.47 -24.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' HG13 ' A' ' 71' ' ' VAL . 11.6 mt-10 -92.07 -33.15 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 HD13 ' A' ' 17' ' ' ILE . 47.9 mt -41.72 133.82 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.8 tp10 -106.09 159.35 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 15' ' ' CYS . 22.2 t-20 -86.3 91.63 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.97 2.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 26.0 mt-30 -119.65 174.0 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 61.5 m-85 -111.24 144.65 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.609 ' CE2' HG22 ' A' ' 65' ' ' THR . 84.3 m-85 -148.1 159.96 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.5 t -115.0 137.89 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.81 109.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.11 128.41 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -90.35 -159.67 35.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.51 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 10.8 mmm180 -42.03 -25.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.9 OUTLIER -75.53 173.54 10.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -178.3 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.58 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 69.6 t80 -86.77 113.54 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' LYS . 32.8 mttp -89.86 79.55 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . 12.5 tttp -37.6 115.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 25' ' ' LEU . 22.4 mt -149.61 154.83 38.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.7 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.19 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.6 ' HB3' HD13 ' A' ' 20' ' ' ILE . 61.5 m-85 -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.64 -28.95 7.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG3' HD23 ' A' ' 99' ' ' LEU . 13.9 pt-20 -75.8 -41.81 51.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 25' ' ' LEU . 13.1 mt -58.45 -27.45 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 20' ' ' ILE . 4.1 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.9 Cg_endo -69.74 175.24 8.34 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -152.42 110.66 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.793 HG21 ' HE ' ' A' ' 31' ' ' ARG . 31.6 m -74.48 120.72 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.1 pt -127.15 160.62 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.657 ' C ' HD22 ' A' ' 19' ' ' LEU . 43.7 m-85 -110.45 138.44 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.4 mm? -114.07 151.05 33.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.1 mt -143.45 142.44 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -71.42 125.63 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -57.62 135.77 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.14 23.08 77.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -117.56 118.55 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.8 mm? -124.49 24.02 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 25' ' ' LEU . 13.9 mm -116.08 -46.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.36 146.04 35.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.56 -179.09 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -132.46 112.4 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.793 ' HE ' HG21 ' A' ' 16' ' ' THR . 56.8 ttt180 -66.76 91.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.8 tp -114.24 123.61 49.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.74 HD12 ' OG1' ' A' ' 16' ' ' THR . 6.6 tt -101.66 150.99 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 mt -119.86 125.74 27.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -34.44 -58.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -41.58 -49.39 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -71.17 -42.62 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -46.15 -23.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -77.49 -35.75 53.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.0 mp0 -98.63 111.27 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.7 t-105 -66.44 -35.5 80.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -41.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.01 -32.95 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 49' ' ' VAL . 93.4 t -63.72 -41.78 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.0 mt -69.5 -33.93 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -62.37 -35.09 78.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.79 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.8 ptm -89.37 -38.85 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 45' ' ' VAL . 19.4 t -53.98 -37.78 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.5 m -66.81 -36.49 82.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -51.99 -35.56 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG3' HD13 ' A' ' 32' ' ' LEU . 24.0 mmmt -90.65 -39.94 12.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 21' ' ' ALA . 32.1 mm -116.6 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -88.84 100.09 12.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 60' ' ' VAL . 46.6 mt -66.22 141.0 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -54.34 -39.9 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 m -67.25 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.37 -110.44 0.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.79 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 85' ' ' ALA . 42.5 t -91.14 144.0 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.2 m170 -123.7 -19.84 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -146.73 164.17 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 83' ' ' TYR . 3.7 mm? -119.13 146.42 45.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.467 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 45.7 m-85 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 83' ' ' TYR . 12.7 p -73.64 168.88 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 96' ' ' TYR . 6.0 mt -62.01 -20.1 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.34 -24.17 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.66 -2.26 24.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.91 152.54 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' LEU . 15.9 tp -108.87 135.39 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.846 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.9 t -106.09 83.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -54.17 -26.8 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ALA . 78.9 p -150.22 140.31 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.69 -20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.37 -23.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.731 0.3 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.846 ' HB2' HG13 ' A' ' 71' ' ' VAL . 25.1 mt-10 -90.48 -28.59 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' GLY . 63.1 mt -46.64 174.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.04 158.64 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 5.6 p-10 -80.27 108.68 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 35.97 6.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -122.19 171.63 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.746 ' CE2' HD22 ' A' ' 100' ' ' LEU . 14.6 m-85 -114.33 154.89 27.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.51 ' HB3' HD12 ' A' ' 63' ' ' LEU . 97.1 m-85 -157.82 129.57 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.611 HG21 ' CE2' ' A' ' 96' ' ' TYR . 99.9 t -84.85 137.1 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -90.2 121.12 31.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 91' ' ' PHE . 51.4 t -119.18 124.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.18 -145.51 17.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -56.54 -25.02 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -78.45 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -56.38 168.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 13.6 t80 -93.07 121.94 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -93.98 87.79 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.37 92.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.5 mt -120.82 154.82 57.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 104.98 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.727 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.7 m-85 -107.53 -29.01 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.662 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -19.51 32.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.4 -32.31 32.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 25' ' ' LEU . 7.8 mt -72.18 -23.16 61.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.31 9.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.8 m -136.97 137.53 39.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -100.27 114.99 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.84 146.04 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.642 ' C ' HD22 ' A' ' 19' ' ' LEU . 19.8 m-85 -95.79 133.41 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -108.82 145.39 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -133.64 131.88 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -67.17 117.97 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -50.61 132.72 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 78.66 11.14 85.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 120.07 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 94' ' ' LEU . 18.4 mt -125.22 -4.67 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.1 mp -94.95 -28.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.08 139.61 20.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -175.42 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.25 -179.14 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -134.75 102.68 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 ttp180 -64.88 99.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 52' ' ' LYS . 9.8 tp -118.22 129.85 55.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.1 tp -87.93 147.59 24.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -134.22 121.6 15.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 127.17 14.19 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.893 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.9 tmt_? -36.46 -58.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -35.16 -41.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 45' ' ' VAL . 29.1 m -77.92 -42.35 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.0 mp -45.7 -24.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mm-40 -100.5 121.28 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 8.8 t-105 -71.66 -32.44 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.76 -36.29 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.43 -41.19 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 41' ' ' GLN . 91.3 t -56.68 -56.84 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' A' ' 60' ' ' VAL . 87.7 mt -52.19 -41.01 62.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -48.63 -29.49 4.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.2 mtm -94.85 -31.3 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 HG21 ' A' ' 60' ' ' VAL . 67.9 t -63.38 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -67.25 -37.18 83.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.61 -29.95 64.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 32' ' ' LEU . 23.8 mmmt -95.92 -40.19 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 21' ' ' ALA . 44.8 mm -118.79 88.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -86.05 100.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.3 mp -65.31 140.78 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -53.7 -40.87 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 p -66.41 -32.18 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.03 -132.87 3.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.63 178.08 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 HG12 ' A' ' 49' ' ' VAL . 99.6 t -83.67 148.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.489 ' CD2' ' H ' ' A' ' 88' ' ' ARG . 12.1 m-70 -127.42 -31.7 2.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -149.24 166.58 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.2 mm? -119.66 148.79 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -142.73 136.67 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' CE2' ' A' ' 83' ' ' TYR . 62.3 p -82.32 165.29 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.12 -23.65 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -83.34 -12.19 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.01 55.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -71.54 152.96 42.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 63' ' ' LEU . 23.9 tp -103.88 144.25 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 76' ' ' GLU . 45.0 t -117.41 81.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -53.76 -20.8 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 7.4 t -161.3 143.64 12.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.559 ' HA2' HD12 ' A' ' 77' ' ' LEU . . . -39.24 -24.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -42.3 -31.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.948 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.6 mt-10 -87.19 -29.29 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 83' ' ' TYR . 86.8 mt -55.47 165.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' CB ' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -132.58 160.71 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 22.4 p-10 -82.46 97.57 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.11 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.458 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 8.3 mt-30 -117.83 171.53 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.4 m-85 -105.72 151.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' HD23 ' A' ' 77' ' ' LEU . 89.0 m-85 -156.83 137.35 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.39 139.67 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 60' ' ' VAL . . . -89.62 109.92 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 91' ' ' PHE . 98.2 t -112.03 120.48 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -97.63 -159.78 30.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.489 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 2.6 ptm180 -37.28 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' GLY . 16.4 p30 -75.61 149.62 38.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -69.14 157.92 35.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HD1' HG21 ' A' ' 86' ' ' VAL . 70.0 t80 -67.41 150.54 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -120.79 107.9 13.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 99.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 23.6 mt -136.04 147.51 61.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 103.69 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 51.4 m-85 -103.02 -30.85 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.472 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -53.27 -17.61 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.98 -30.35 26.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 25' ' ' LEU . 6.4 mt -76.11 -17.12 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.42 21.62 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.6 m -124.56 124.52 42.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -89.9 114.43 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 78' ' ' GLU . 21.0 pt -119.8 153.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.678 ' C ' HD22 ' A' ' 19' ' ' LEU . 66.7 m-85 -105.23 133.31 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -109.84 159.82 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.3 mt -151.81 134.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 128.69 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.5 115.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.09 20.4 33.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.94 113.49 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.986 HD13 HD11 ' A' ' 99' ' ' LEU . 2.5 mm? -116.37 18.17 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 mp -110.08 -44.06 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.95 143.37 26.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.04 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 -177.73 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.0 m -133.15 101.57 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.94 97.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.96 128.67 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -97.27 141.05 30.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 39' ' ' LEU . 2.1 mt -124.7 135.41 26.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.75 153.72 68.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.394 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 4.8 tpt180 -69.3 1.12 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -96.02 -38.53 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.92 HG23 ' HB3' ' A' ' 44' ' ' HIS . 2.7 m -102.61 -46.64 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -47.04 -42.99 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 36' ' ' ARG . 68.5 m-20 -51.01 -35.73 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.0 mm-40 -84.38 179.81 7.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 9.8 t-105 -114.88 -61.53 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.33 -31.13 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.92 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.5 m170 -80.14 -23.39 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.2 t -80.47 -44.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' A' ' 42' ' ' TRP . 1.9 mm? -61.82 -26.62 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.9 tp60 -79.49 -19.44 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.573 ' SD ' HG21 ' A' ' 38' ' ' THR . 19.7 mtp -96.25 -41.07 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 46' ' ' LEU . 7.6 p -56.21 -47.79 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 49' ' ' VAL . 49.3 m -49.99 -42.67 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -48.67 -27.37 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -103.7 -40.66 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.9 mm -109.75 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -91.22 109.2 20.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 60' ' ' VAL . 69.7 mt -83.4 166.29 18.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.11 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.5 t -65.77 -27.75 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.93 -15.66 16.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.4 162.18 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' A' ' 55' ' ' LEU . 8.6 p -95.88 146.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 4.9 m-70 -117.17 -26.49 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -146.43 155.09 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD23 HD11 ' A' ' 46' ' ' LEU . 2.2 mm? -109.62 157.49 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 58.8 m-85 -152.44 122.08 6.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.691 HG22 ' CD2' ' A' ' 83' ' ' TYR . 52.7 p -69.71 172.04 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.1 -23.78 64.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.55 -13.41 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.06 6.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -103.06 140.18 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.12 136.32 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 76' ' ' GLU . 38.6 t -107.89 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.26 -18.74 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 32.4 p -154.65 151.5 28.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.46 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -54.8 -12.09 3.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.463 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.88 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.737 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.9 mt-10 -93.56 -18.64 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.41 106.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.526 ' O ' HG22 ' A' ' 17' ' ' ILE . 12.8 tt0 -93.12 160.72 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -85.3 102.57 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.19 31.82 4.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -119.79 169.04 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 100' ' ' LEU . 41.7 m-85 -112.12 141.0 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.691 ' CD2' HG22 ' A' ' 65' ' ' THR . 89.4 m-85 -143.67 152.86 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 t -112.01 137.39 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -92.91 113.47 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.77 134.24 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.401 ' N ' HD13 ' A' ' 55' ' ' LEU . . . -75.85 -131.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.493 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 12.7 mtm105 -98.48 46.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -150.75 172.52 15.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -51.2 -176.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.5 t80 -110.45 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -73.59 81.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 18.9 tttm -55.17 106.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.552 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -131.2 153.67 81.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 106.09 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.53 ' HD1' HD12 ' A' ' 99' ' ' LEU . 77.1 m-85 -110.1 -29.3 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -43.27 -34.29 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 98' ' ' GLU . 9.1 mp0 -76.08 -38.72 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.986 HD11 HD13 ' A' ' 25' ' ' LEU . 23.6 mt -62.98 -27.6 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 171.24 14.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 17' ' ' ILE . 6.3 t -127.97 134.78 49.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -101.98 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG23 ' SG ' ' A' ' 15' ' ' CYS . 20.8 pt -121.24 150.45 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.577 ' C ' HD22 ' A' ' 19' ' ' LEU . 9.4 m-85 -99.34 134.25 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.5 mm? -109.17 154.14 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -143.41 145.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 114.48 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.49 133.9 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 -3.58 84.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 25' ' ' LEU . 4.4 t70 -102.33 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 99' ' ' LEU . 1.3 mm? -120.42 24.9 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.71 HD12 ' N ' ' A' ' 26' ' ' ILE . 2.6 mp -118.49 -37.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -96.13 140.43 22.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.96 -175.24 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -141.3 110.23 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 20.2 ttp-105 -67.22 101.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.3 tp -115.23 140.52 49.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 tp -103.09 141.08 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' HD11 ' A' ' 39' ' ' LEU . 9.7 mt -130.48 118.9 18.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.8 125.83 12.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -31.72 -42.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -47.74 -50.86 24.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 42.0 m -68.95 -40.31 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.7 mp -46.76 -27.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.63 -38.27 90.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' VAL . 40.4 mm-40 -105.54 98.21 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' O ' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -49.44 -47.18 48.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -51.78 -45.28 63.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.433 ' HB3' HG23 ' A' ' 38' ' ' THR . 7.7 m170 -64.29 -23.56 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 46.4 t -73.41 -42.96 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' O ' ' A' ' 42' ' ' TRP . 1.8 mm? -69.22 -30.48 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 20.2 tp60 -62.08 -31.58 72.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.726 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.1 ptm -93.37 -36.62 12.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 45' ' ' VAL . 42.5 t -60.27 -32.05 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.415 ' OG1' HG23 ' A' ' 60' ' ' VAL . 64.6 m -69.2 -31.31 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.16 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -96.28 -39.87 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -120.01 87.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.4 m -88.03 108.32 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 143.27 42.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -59.45 -21.4 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.2 p -79.04 -31.05 44.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.74 -111.43 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.54 -179.5 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.582 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 2.9 t -91.84 143.12 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.9 m170 -126.58 -28.88 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -143.04 164.39 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.72 157.71 26.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 53.1 m-85 -150.06 124.81 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.859 HG22 ' CE2' ' A' ' 83' ' ' TYR . 44.1 p -75.99 167.95 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.86 -18.99 65.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -82.21 -16.98 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.64 13.86 28.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.9 tptm -84.45 152.62 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 8.8 tp -106.9 135.51 48.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 76' ' ' GLU . 1.9 t -115.71 101.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.15 -2.99 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 71' ' ' VAL . 4.7 m -158.49 172.35 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.07 26.1 3.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.05 -17.26 17.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.973 ' HB2' HG13 ' A' ' 71' ' ' VAL . 16.4 mt-10 -107.27 16.98 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.75 -179.03 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -154.07 158.73 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -93.56 107.93 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.3 42.03 5.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -124.36 173.17 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE2' HD22 ' A' ' 100' ' ' LEU . 51.1 m-85 -113.9 132.82 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HG22 ' A' ' 65' ' ' THR . 57.1 m-85 -130.32 173.51 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -129.09 135.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 60' ' ' VAL . . . -89.96 115.87 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.99 119.46 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.83 -129.32 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -85.46 28.15 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.52 163.85 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.09 144.44 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 88.8 t80 -63.99 120.83 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -93.18 76.16 4.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 39.7 tptt -40.9 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 38.5 mt -136.24 154.98 77.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 105.42 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 44.2 m-85 -100.56 -31.65 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -46.28 -29.5 3.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HG3' HD23 ' A' ' 99' ' ' LEU . 15.0 pt-20 -76.6 -41.52 45.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD11 HD13 ' A' ' 25' ' ' LEU . 11.2 mt -60.47 -26.82 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.607 HD22 ' CE2' ' A' ' 82' ' ' PHE . 7.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.7 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.642 0.734 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.564 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.7 175.55 7.91 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 33' ' ' LEU . 3.9 t -137.49 139.61 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 33' ' ' LEU . 7.9 m -103.69 115.5 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 34' ' ' ILE . 17.0 pt -124.48 150.78 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 14.5 m-85 -95.03 147.91 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -124.68 131.17 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.589 ' HB ' HG22 ' A' ' 84' ' ' VAL . 79.7 mt -123.33 140.8 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -68.09 131.09 44.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 30.6 t-20 -57.17 133.43 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 66.7 28.87 73.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -119.32 128.21 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.058 HD11 HD22 ' A' ' 94' ' ' LEU . 5.5 mt -134.97 4.75 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -97.79 -33.47 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.98 147.69 34.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -166.45 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.35 -175.67 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -135.0 102.38 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -67.49 102.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.64 123.41 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.826 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.8 tp -82.8 148.04 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 17' ' ' ILE . 6.8 mt -124.94 126.37 25.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HE3' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.962 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -46.61 -29.94 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.41 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 44' ' ' HIS . 3.3 m -83.78 -32.81 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 36' ' ' ARG . 18.1 mt -48.51 -33.94 10.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.68 -32.44 74.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -106.64 111.4 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.709 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 31.9 t-105 -61.26 -45.09 95.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.88 -48.21 70.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.494 ' CB ' HG23 ' A' ' 38' ' ' THR . 17.5 m170 -55.6 -38.96 70.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 34' ' ' ILE . 93.3 t -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 2.8 mm? -60.98 -39.54 90.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -57.74 -32.48 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.42 ' HE1' HG23 ' A' ' 34' ' ' ILE . 45.7 mtp -88.61 -24.56 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 t -75.5 -36.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' HG23 ' A' ' 60' ' ' VAL . 23.7 m -65.85 -39.86 91.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -52.87 -32.36 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -92.23 -45.07 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 21' ' ' ALA . 45.1 mm -114.38 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -90.67 100.78 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.1 mp -69.36 157.58 36.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -68.81 -34.52 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 p -68.45 -35.56 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.96 -150.5 22.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.29 164.45 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG23 ' OG1' ' A' ' 50' ' ' THR . 11.8 t -86.82 146.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.0 m-70 -121.57 -32.68 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -142.52 -176.28 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.709 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 2.7 mp -139.08 159.45 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.889 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 37.3 m-85 -148.32 130.8 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 69' ' ' LYS . 40.5 p -66.23 176.5 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.6 mt -71.71 -14.5 62.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -94.51 -19.06 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 114.05 5.41 21.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 65' ' ' THR . 27.6 tptt -62.72 159.58 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.889 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.9 tm? -114.92 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.711 HG22 ' OE1' ' A' ' 76' ' ' GLU . 26.2 t -123.46 119.18 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.808 ' HG3' HD11 ' A' ' 70' ' ' LEU . 10.7 mp0 -105.19 8.86 34.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.574 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.5 t -167.69 157.95 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -64.36 -2.24 6.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -28.29 68.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.711 ' OE1' HG22 ' A' ' 71' ' ' VAL . 15.5 mt-10 -93.06 11.98 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 90.3 mt -97.4 136.44 37.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.6 tt0 -120.8 166.61 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 13.3 p-10 -86.58 98.63 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.76 24.66 6.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.99 169.41 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.678 ' CD1' HD13 ' A' ' 100' ' ' LEU . 58.8 m-85 -114.07 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -150.5 127.25 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG22 ' HB ' ' A' ' 20' ' ' ILE . 98.0 t -80.85 138.0 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.33 107.92 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 64' ' ' TYR . 44.7 t -97.44 136.26 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -105.53 -122.83 5.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 65.0 mtt180 -91.63 42.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -146.69 166.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.11 158.2 29.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 70.2 t80 -74.33 117.52 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' LEU . 21.8 mtpt -78.7 95.27 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HE2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -47.57 88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 25' ' ' LEU . 13.8 mt -134.07 152.13 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 103.93 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.256 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.554 ' HB2' HD22 ' A' ' 66' ' ' LEU . 85.2 m-85 -97.95 -37.28 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -55.39 -18.8 15.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.13 -37.36 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' LEU . 11.6 mt -64.75 -21.05 66.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.678 HD13 ' CD1' ' A' ' 82' ' ' PHE . 1.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.434 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 19.9 tp10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 54.0 Cg_endo -69.76 174.99 8.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.14 139.4 37.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.451 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 14.3 m -106.36 117.34 33.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 pt -127.5 156.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 89.2 m-85 -103.01 131.06 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.2 mm? -108.45 153.0 23.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.1 mt -142.68 144.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.4 121.5 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' CG ' HG22 ' A' ' 86' ' ' VAL . 39.3 t30 -56.89 130.8 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 92' ' ' LYS . . . 76.99 7.99 86.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.715 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.4 t70 -114.28 114.0 25.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 24' ' ' ASP . 2.9 mm? -121.12 24.42 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.16 -34.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -101.64 153.83 37.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.93 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.45 177.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -130.33 104.28 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.56 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 13.5 ttp180 -67.16 98.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' HB3' HD23 ' A' ' 19' ' ' LEU . 6.8 tp -114.09 132.81 55.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.5 tp -94.87 138.51 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' O ' HD11 ' A' ' 39' ' ' LEU . 7.0 mt -120.42 118.9 30.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.75 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tmt_? -32.02 -41.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.73 -50.45 44.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 45' ' ' VAL . 99.1 m -69.42 -40.21 77.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -45.47 -29.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.63 -35.63 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' HIS . 1.6 mp0 -100.81 75.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CE2' HD21 ' A' ' 46' ' ' LEU . 30.6 t-105 -35.85 -45.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -55.62 -45.16 77.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLN . 20.6 m170 -61.31 -29.21 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 38' ' ' THR . 74.2 t -69.03 -46.81 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CE2' ' A' ' 42' ' ' TRP . 3.1 mm? -63.89 -28.3 69.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 37.9 tp60 -74.06 -22.64 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.545 ' SD ' HG21 ' A' ' 38' ' ' THR . 23.9 mtp -95.56 -49.25 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.919 ' CG1' HG11 ' A' ' 60' ' ' VAL . 1.5 p -48.22 -36.68 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.86 ' OG1' HG12 ' A' ' 60' ' ' VAL . 84.3 m -59.3 -44.57 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.44 -28.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.815 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.6 mm -112.29 96.92 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -99.35 115.86 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -91.66 141.73 28.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -52.78 -36.51 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -71.01 -29.91 65.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.04 177.18 16.89 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.61 164.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.919 HG11 ' CG1' ' A' ' 49' ' ' VAL . 8.2 p -82.67 148.86 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.8 m-70 -123.62 -20.55 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -142.98 169.72 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.869 HD13 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -125.42 155.58 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.869 ' H ' HD13 ' A' ' 63' ' ' LEU . 36.7 m-85 -144.72 167.72 21.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 ' CD2' ' A' ' 83' ' ' TYR . 76.9 p -117.19 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.08 -18.28 58.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -86.83 -14.06 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.78 25.69 8.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 20.5 tptt -100.34 147.8 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 71' ' ' VAL . 4.1 tp -103.74 126.82 51.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.754 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.2 t -98.26 112.14 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.83 -15.43 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.5 p -141.64 168.76 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 28.81 2.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.57 -18.03 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.754 ' HB2' HG13 ' A' ' 71' ' ' VAL . 18.2 mt-10 -94.91 21.76 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.35 176.39 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.37 175.36 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -105.78 107.02 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.68 20.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -108.78 169.03 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CE1' HD13 ' A' ' 100' ' ' LEU . 60.6 m-85 -114.84 149.34 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.599 ' CD2' HG22 ' A' ' 65' ' ' THR . 15.8 m-85 -145.55 -179.32 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.8 t -136.87 132.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.815 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -89.6 112.08 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 22' ' ' ASN . 45.9 t -103.97 131.61 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.26 -142.1 12.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.21 -10.44 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -91.03 171.7 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 170.91 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 13.8 t80 -82.42 118.23 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -85.27 96.59 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 94' ' ' LEU . 2.5 tmtp? -70.38 93.36 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.6 mm? -128.2 157.5 74.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.25 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 69.0 m-85 -97.74 -36.03 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.47 -28.93 6.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 7.3 pt-20 -73.44 -42.73 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 25' ' ' LEU . 18.0 mt -58.58 -27.01 64.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.685 HD13 ' CE1' ' A' ' 82' ' ' PHE . 1.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 20.5 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.8 Cg_endo -69.75 171.1 15.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' C ' HD12 ' A' ' 33' ' ' LEU . 21.5 m -130.8 133.03 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.51 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 m -95.29 107.73 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.2 pt -112.3 160.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.4 m-85 -106.09 143.77 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.732 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.1 mm? -117.14 155.92 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.592 HG21 ' CD1' ' A' ' 96' ' ' TYR . 72.2 mt -147.79 132.29 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . . . -64.71 115.0 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.76 123.95 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.3 37.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' HD22 ' A' ' 25' ' ' LEU . 19.8 t0 -77.11 112.04 13.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD11 ' A' ' 99' ' ' LEU . 3.9 mm? -120.13 27.89 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.0 mm -118.62 -40.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.75 149.94 36.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -166.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.09 -175.52 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -131.95 117.39 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 ttm105 -75.15 111.8 10.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 48' ' ' MET . 3.2 tp -133.72 142.69 48.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 15' ' ' CYS . 9.0 tp -105.1 142.95 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.3 mt -125.92 116.24 24.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.749 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 144.01 52.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -43.98 -49.11 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -45.97 -39.69 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 45' ' ' VAL . 54.4 m -83.29 -44.65 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -46.1 -31.39 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 mm-40 -96.98 118.35 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 22.3 t-105 -67.83 -47.66 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.86 -41.72 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -63.41 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -70.0 -51.0 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.2 mm? -60.66 -25.21 66.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 10.0 tp60 -71.14 -30.41 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.2 ptm -93.05 -34.89 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' VAL . 54.5 t -58.57 -44.85 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.0 m -53.42 -40.61 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.11 -34.84 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -91.46 -45.9 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 55' ' ' LEU . 51.6 mm -115.19 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -102.02 99.74 9.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.4 mp -68.84 133.14 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -45.29 -37.23 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -67.63 -32.02 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.25 -157.78 27.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 61' ' ' HIS . . . -71.63 179.41 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 t -86.97 139.64 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.2 m-70 -126.41 -26.16 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.3 mmt85 -135.7 153.44 51.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -122.7 141.45 51.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 51.7 m-85 -145.33 141.39 28.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 83' ' ' TYR . 33.7 p -88.75 163.96 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.04 -22.41 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.42 -30.06 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.34 5.58 22.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 2.2 tmtt? -74.83 154.46 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 3.1 tm? -100.75 133.35 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG13 ' HB2' ' A' ' 76' ' ' GLU . 11.7 t -107.01 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HG3' HD12 ' A' ' 70' ' ' LEU . 30.1 mt-10 -63.66 -15.82 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.568 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 t -157.23 150.27 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -55.63 -11.5 4.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.9 -23.48 31.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.962 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.3 mt-10 -95.71 23.63 6.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 42.6 mt -106.68 117.27 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 tp10 -90.67 155.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.49 103.97 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.55 35.71 3.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.11 175.81 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.719 ' CE2' HD22 ' A' ' 100' ' ' LEU . 95.9 m-85 -114.24 148.51 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.71 ' CD2' HG22 ' A' ' 65' ' ' THR . 29.2 m-85 -150.41 136.11 18.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.33 135.3 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' HD22 ' A' ' 63' ' ' LEU . . . -90.85 111.67 23.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -99.65 124.86 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.1 -144.57 10.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -78.8 48.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -155.68 148.05 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 148.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 24.4 t80 -72.78 137.44 45.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -107.11 81.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 22.0 ttmt -52.76 108.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.802 HD13 ' CD2' ' A' ' 25' ' ' LEU . 19.3 mt -132.65 154.61 81.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 20' ' ' ILE . 90.4 m-85 -102.58 -30.01 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -48.6 -25.21 4.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.17 -34.73 42.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 25' ' ' LEU . 11.9 mt -70.4 -27.33 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' CE2' ' A' ' 82' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.653 0.739 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.64 37.5 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -136.72 125.18 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.433 HG21 ' HD3' ' A' ' 31' ' ' ARG . 7.0 m -87.76 113.34 23.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.5 pt -125.58 152.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.669 ' C ' HD22 ' A' ' 19' ' ' LEU . 80.4 m-85 -96.56 141.29 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -118.57 155.75 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -147.15 137.19 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -64.37 122.85 17.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 5.8 t30 -48.67 133.89 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.782 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 60.17 31.97 74.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 8.6 t0 -119.39 113.15 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.814 HD21 ' HB3' ' A' ' 94' ' ' LEU . 6.3 mt -115.92 2.71 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mm -97.21 -33.35 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.41 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.22 178.26 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -141.35 111.19 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 16' ' ' THR . 26.3 ttm180 -57.67 102.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.4 tm? -113.59 117.95 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.5 tp -88.49 141.75 28.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 45' ' ' VAL . 37.7 mt -129.48 116.1 18.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.671 0.748 . . . . 0.0 111.122 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.9 Cg_endo -69.79 138.08 36.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 39' ' ' LEU . 5.2 tpt180 -37.28 -49.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -47.49 -48.69 27.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.2 m -71.95 -33.75 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 36' ' ' ARG . 9.1 mt -60.58 -12.65 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.02 -17.66 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -118.39 148.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CE2' HD21 ' A' ' 46' ' ' LEU . 1.9 t-105 -98.75 -40.57 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.89 -15.11 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -93.99 -36.76 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 46' ' ' LEU . 2.8 p -74.27 -44.62 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.512 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -60.78 -23.59 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.1 tp60 -83.17 -21.05 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 mtm -94.38 -37.9 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.625 HG23 ' HG ' ' A' ' 19' ' ' LEU . 4.8 p -57.91 -51.76 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.553 ' N ' HG13 ' A' ' 49' ' ' VAL . 67.6 m -42.56 -48.31 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 40.8 mt-10 -36.76 -41.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 7.2 mptt -84.25 -45.4 12.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HA ' ' A' ' 21' ' ' ALA . 33.4 mm -111.96 96.53 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -96.04 99.8 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.0 mp -67.31 138.03 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -51.53 -38.77 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.5 p -67.43 -26.98 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.99 -109.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.09 175.2 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 85' ' ' ALA . 7.2 p -93.11 148.48 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.5 m170 -125.44 -23.19 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.904 ' O ' HD22 ' A' ' 63' ' ' LEU . 1.7 mtp180 -128.26 -179.16 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.904 HD22 ' O ' ' A' ' 62' ' ' ARG . 3.9 mm? -138.11 137.77 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CE1' HD13 ' A' ' 70' ' ' LEU . 11.8 m-85 -138.53 139.85 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.597 HG22 ' CD2' ' A' ' 83' ' ' TYR . 28.8 p -92.75 165.92 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.04 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.82 -18.31 62.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.52 22.42 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -99.15 144.22 28.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 64' ' ' TYR . 13.9 tp -97.69 142.94 28.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.966 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.5 t -109.48 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.06 -21.31 56.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 71' ' ' VAL . 90.7 p -146.08 175.89 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.22 29.3 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -18.81 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.966 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -98.13 25.75 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -101.44 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 17' ' ' ILE . 2.3 tp10 -158.45 158.98 35.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -85.94 127.63 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.52 55.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -120.56 170.15 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 100' ' ' LEU . 73.0 m-85 -110.21 145.82 36.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CD2' HG22 ' A' ' 65' ' ' THR . 94.7 m-85 -147.56 123.13 10.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 60.0 t -81.66 131.85 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.52 107.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 91' ' ' PHE . 34.9 t -97.35 118.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.84 -153.82 24.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.438 ' HG2' ' NE2' ' A' ' 61' ' ' HIS . 4.7 mmp_? -51.6 -24.93 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.1 163.15 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 170.55 12.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.803 ' HB2' HG21 ' A' ' 86' ' ' VAL . 19.0 t80 -89.52 105.77 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -75.75 80.35 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 5.6 tmtm? -40.13 113.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.814 ' HB3' HD21 ' A' ' 25' ' ' LEU . 59.9 mt -145.63 155.56 52.79 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 88.6 m-85 -102.21 -28.25 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -55.09 -17.61 10.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.96 -28.75 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 96' ' ' TYR . 1.7 mt -76.13 -16.56 59.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 82' ' ' PHE . 7.1 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.634 0.73 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.469 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.73 165.1 32.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 m -137.77 125.49 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 4.7 m -91.04 102.8 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.0 pt -113.31 146.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.702 ' C ' HD22 ' A' ' 19' ' ' LEU . 94.5 m-85 -94.68 141.23 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.8 mm? -118.21 155.49 30.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -144.65 137.34 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.77 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.58 ' ND2' HG22 ' A' ' 86' ' ' VAL . 35.6 t-20 -63.59 130.2 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 8.88 85.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.488 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -110.9 114.52 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.904 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -121.11 20.44 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 mp -112.85 -40.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.86 148.04 34.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -175.09 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -134.87 101.1 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -58.62 117.92 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.06 130.18 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -97.21 139.76 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mt -125.79 126.6 24.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 144.74 55.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -52.02 -24.58 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 21.9 tttm -72.68 -28.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.7 m -98.08 -22.9 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.09 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.72 -38.88 77.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 10.4 mm100 -89.47 119.28 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.444 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 36.2 t-105 -74.65 -26.13 59.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.9 -32.03 65.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.4 m170 -71.66 -30.65 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.77 -45.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -90.96 -30.63 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mtm -89.19 -25.93 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.8 p -68.99 -33.25 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.5 m -64.0 -43.29 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -49.23 -32.47 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -92.93 -44.63 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.4 mm -110.14 100.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.8 m -93.51 101.08 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.63 136.46 51.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -54.78 -28.3 47.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 p -82.04 -26.76 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.8 -134.28 4.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.5 -178.7 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.504 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 71.6 t -88.65 143.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 10.2 m-70 -124.2 -23.29 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -154.83 157.74 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.66 156.91 21.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -151.65 129.19 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -73.59 -179.25 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.6 mt -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -89.49 -13.14 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.41 9.1 42.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -77.33 157.84 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 tp -114.53 124.93 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.916 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.1 t -99.33 87.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -4.93 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.2 t -165.66 150.55 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.98 -10.3 6.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.65 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.916 ' HB2' HG13 ' A' ' 71' ' ' VAL . 4.6 mt-10 -98.85 -17.7 18.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 83' ' ' TYR . 22.7 mt -58.25 165.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 17' ' ' ILE . 6.2 tp10 -141.49 162.57 35.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -93.18 118.51 31.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.95 13.6 58.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -105.49 -179.46 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.813 ' CE2' HD22 ' A' ' 100' ' ' LEU . 11.0 m-85 -120.99 151.18 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.428 ' CE2' HD23 ' A' ' 77' ' ' LEU . 78.9 m-85 -150.28 130.71 13.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 96' ' ' TYR . 58.9 t -85.32 134.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.87 118.53 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.58 HG22 ' ND2' ' A' ' 22' ' ' ASN . 39.5 t -115.09 130.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.42 -124.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 48.6 mtp180 -98.9 45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -150.15 136.8 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -36.22 152.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.1 t80 -80.39 122.33 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -79.5 85.68 5.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tmtt? -46.6 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 43.9 mt -143.16 153.41 59.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.05 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.686 ' HB2' HD22 ' A' ' 66' ' ' LEU . 87.4 m-85 -105.73 -32.31 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.657 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -60.35 -11.67 21.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.14 -31.64 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 25' ' ' LEU . 8.4 mt -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.813 HD22 ' CE2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.74 169.61 18.49 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 t -137.2 133.93 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.557 HG21 ' HE ' ' A' ' 31' ' ' ARG . 7.9 m -101.46 115.86 31.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 HD21 ' A' ' 19' ' ' LEU . 17.5 pt -122.93 154.0 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.812 ' C ' HD22 ' A' ' 19' ' ' LEU . 86.3 m-85 -99.66 143.24 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -125.07 151.13 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 100' ' ' LEU . 76.3 mt -140.45 153.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -81.43 133.19 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 86' ' ' VAL . 47.3 t30 -66.93 130.46 43.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.54 15.31 81.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -113.42 117.26 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.8 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.4 mm? -121.53 26.23 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -119.31 -40.27 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.29 136.96 21.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.76 2.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -78.53 175.42 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -130.93 123.24 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 16' ' ' THR . 10.4 ttt180 -73.26 117.64 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -132.37 135.51 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.4 tp -101.55 139.56 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 38' ' ' THR . 8.5 mt -125.65 117.98 24.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.8 139.35 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 7.4 tpt180 -37.24 -41.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -51.65 -46.31 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -74.25 -39.99 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -51.86 -34.35 40.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.51 -24.83 67.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -115.21 123.89 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.459 ' NE1' HD21 ' A' ' 46' ' ' LEU . 17.6 t-105 -74.4 -39.8 62.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.38 -44.51 88.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.632 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.2 m170 -55.73 -40.95 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.759 ' O ' HG12 ' A' ' 49' ' ' VAL . 48.2 t -62.85 -61.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.482 HD11 HD23 ' A' ' 63' ' ' LEU . 2.1 mm? -47.59 -23.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -85.38 -29.79 24.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' VAL . 8.6 mtm -88.26 -52.13 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.759 HG12 ' O ' ' A' ' 45' ' ' VAL . 2.1 p -46.46 -45.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.582 ' OG1' HG12 ' A' ' 60' ' ' VAL . 55.0 m -48.78 -55.15 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' THR . 25.9 mt-10 -38.52 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -41.81 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.94 97.09 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -93.76 103.88 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.31 156.34 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -62.69 -32.98 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -74.01 -29.22 61.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.55 -110.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.9 164.12 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.752 HG21 ' HB1' ' A' ' 85' ' ' ALA . 13.8 p -90.29 144.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.6 m170 -121.99 -25.64 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.476 ' O ' HD22 ' A' ' 63' ' ' LEU . 33.3 mtm180 -132.08 163.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 46' ' ' LEU . 4.1 mm? -122.87 145.1 48.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 57.8 m-85 -142.53 129.32 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 83' ' ' TYR . 6.9 p -68.71 177.44 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 97' ' ' GLY . 5.9 mt -72.86 -16.54 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.9 -25.63 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.37 23.42 5.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 4.2 tmtt? -89.7 153.6 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 tm? -102.87 132.48 49.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.951 HG13 ' HB2' ' A' ' 76' ' ' GLU . 5.9 t -112.92 85.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.67 -24.31 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.732 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -148.64 158.88 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -63.74 -3.4 7.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.57 -24.8 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.951 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.4 mt-10 -93.26 19.11 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -97.05 161.43 13.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 81' ' ' GLN . 2.6 tt0 -142.38 156.72 45.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 6.0 p30 -71.42 101.67 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.45 41.09 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 40.7 mm-40 -116.87 170.03 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.847 ' CE2' HD22 ' A' ' 100' ' ' LEU . 48.8 m-85 -120.85 140.78 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CD2' HG22 ' A' ' 65' ' ' THR . 80.7 m-85 -146.76 128.45 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.12 137.71 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -92.26 119.68 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.615 HG22 ' ND2' ' A' ' 22' ' ' ASN . 45.7 t -113.48 129.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.3 -149.3 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -79.81 44.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.48 -177.24 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 150.8 39.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 18.4 t80 -80.98 110.1 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -73.38 85.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.15 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 25' ' ' LEU . 21.9 mt -133.64 150.61 75.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.428 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.74 110.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 79.3 m-85 -114.13 -30.39 6.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.3 -19.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 98' ' ' GLU . 12.7 mp0 -85.56 -37.67 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 25' ' ' LEU . 16.2 mt -64.23 -24.4 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.847 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 45.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.593 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.87 170.55 16.45 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' C ' HD12 ' A' ' 33' ' ' LEU . 7.0 m -137.23 135.92 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.44 HG21 ' HE ' ' A' ' 31' ' ' ARG . 20.9 m -98.04 125.85 43.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 34' ' ' ILE . 24.2 pt -125.94 167.73 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.83 130.99 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.942 HD13 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -125.86 150.08 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.617 HG22 ' N ' ' A' ' 21' ' ' ALA . 42.1 mt -132.25 164.18 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.617 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -89.99 115.99 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.1 p-10 -52.19 118.09 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.05 -19.07 50.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.98 115.8 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 99' ' ' LEU . 1.4 mm? -118.42 24.22 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 mp -117.46 -46.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.76 142.33 24.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.36 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.07 -178.84 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.2 m -125.02 97.27 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HE ' HG21 ' A' ' 16' ' ' THR . 55.0 ttt180 -52.87 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 tp -119.62 130.02 54.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -87.1 150.54 23.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 17' ' ' ILE . 8.2 mt -131.94 119.38 16.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 111.145 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.89 49.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -50.25 -26.4 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.3 tmtp? -70.0 -31.92 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.546 HG21 ' SD ' ' A' ' 48' ' ' MET . 93.6 m -89.35 -34.45 16.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.43 -24.39 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 24.4 p30 -79.14 -36.65 40.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 5.8 mm100 -98.01 121.72 40.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.687 ' O ' HD23 ' A' ' 46' ' ' LEU . 10.2 t-105 -75.42 -27.49 59.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -81.04 -9.37 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.444 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.5 m170 -95.95 -31.51 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.854 HG13 HD22 ' A' ' 46' ' ' LEU . 2.8 p -80.96 -36.75 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.854 HD22 HG13 ' A' ' 45' ' ' VAL . 1.1 mm? -74.17 -13.25 60.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 42.2 tp60 -90.08 -22.56 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 38' ' ' THR . 12.9 ptm -96.27 -29.42 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.942 HG23 HD13 ' A' ' 19' ' ' LEU . 7.3 p -65.24 -44.16 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 49' ' ' VAL . 55.3 m -52.29 -45.51 65.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -52.17 -25.71 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -101.31 -30.23 11.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -121.38 86.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.2 m -84.44 104.5 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.52 162.36 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 14.5 ttp-105 -67.27 -44.54 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.51 -27.93 68.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.86 -117.99 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.23 166.53 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG13 HD12 ' A' ' 46' ' ' LEU . 12.5 p -86.86 154.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.8 m-70 -132.27 -32.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -129.48 166.95 18.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.0 mm? -121.03 153.84 36.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 42.0 m-85 -152.08 130.67 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.8 p -74.1 -178.18 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.8 mt -75.27 -15.3 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -91.05 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.98 19.12 9.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -75.8 162.1 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 72' ' ' GLU . 2.7 tp -118.16 123.92 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.985 HG13 ' HB2' ' A' ' 76' ' ' GLU . 2.6 t -110.41 81.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.424 ' HG3' HD21 ' A' ' 70' ' ' LEU . 43.9 mt-10 -66.36 -25.48 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.768 ' O ' HG12 ' A' ' 71' ' ' VAL . 19.1 t -134.16 170.21 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.37 20.71 6.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -101.59 23.8 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.84 165.29 12.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -151.63 169.28 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.63 131.85 34.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.2 29.68 75.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.779 ' NE2' ' H ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -101.13 147.02 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.779 ' H ' ' NE2' ' A' ' 81' ' ' GLN . 69.4 m-85 -97.92 131.9 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 81' ' ' GLN . 80.2 m-85 -130.67 175.23 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' TYR . 98.9 t -129.27 130.32 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.59 108.36 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 91' ' ' PHE . 53.1 t -104.41 129.01 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.86 -150.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 58.9 mtt-85 -76.41 47.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.47 -178.54 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -75.49 146.72 40.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.9 t80 -79.86 99.41 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -67.13 77.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.2 ttpm? -42.82 120.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.8 mt -148.26 155.36 42.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 95.9 m-85 -100.71 -35.06 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.542 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.93 -17.4 1.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.544 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.07 -32.68 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 25' ' ' LEU . 9.3 mt -72.06 -23.95 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 82' ' ' PHE . 5.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.805 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.76 164.68 33.64 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 17' ' ' ILE . 42.6 t -134.97 91.71 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.8 m -61.69 106.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 15' ' ' CYS . 15.8 pt -119.32 150.69 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.766 ' C ' HD22 ' A' ' 19' ' ' LEU . 26.5 m-85 -102.28 145.67 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -119.69 153.12 36.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.21 148.22 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -80.78 121.18 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.24 116.88 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.34 -16.7 55.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 25' ' ' LEU . 3.4 t0 -87.66 113.39 23.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.947 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -120.73 28.56 7.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.5 mm -118.39 -38.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.7 145.57 30.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.52 174.62 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -127.48 96.46 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 27.1 ttp180 -49.36 105.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.2 tp -122.14 117.52 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.092 HD23 ' N ' ' A' ' 34' ' ' ILE . 5.7 tt -89.33 148.22 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.092 ' N ' HD23 ' A' ' 33' ' ' LEU . 26.6 mt -133.03 130.47 21.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.76 129.26 17.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' PRO . 4.9 tpt180 -36.22 -38.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 1.3 tmmt? -51.67 -47.92 63.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 HG22 ' A' ' 45' ' ' VAL . 5.6 m -68.11 -42.72 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.43 HD21 ' HB ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -45.81 -39.7 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -46.61 -34.83 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -106.09 166.74 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 15.6 t-105 -110.84 -34.91 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.16 -35.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -69.23 -40.21 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 38' ' ' THR . 80.1 t -58.08 -58.8 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.573 HD22 HG22 ' A' ' 60' ' ' VAL . 49.6 mt -50.57 -39.12 48.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -50.89 -30.08 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' ' 34' ' ' ILE . 24.9 mtm -92.4 -33.82 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG11 ' A' ' 60' ' ' VAL . 40.4 t -60.78 -38.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.543 ' OG1' HG12 ' A' ' 60' ' ' VAL . 93.1 m -66.96 -37.95 85.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.63 -32.01 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 32' ' ' LEU . 61.9 mmtt -96.16 -43.58 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 21' ' ' ALA . 39.8 mm -115.99 97.86 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.8 m -98.44 101.71 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD13 ' H ' ' A' ' 87' ' ' GLY . 16.3 mt -69.39 138.87 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -47.13 -40.5 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -65.68 -31.21 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.73 -142.55 9.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.03 178.25 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.573 HG22 HD22 ' A' ' 46' ' ' LEU . 2.1 p -95.29 126.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.2 m-70 -106.17 -29.52 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -136.24 158.7 43.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 46' ' ' LEU . 3.9 mm? -115.64 148.09 40.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -140.18 126.57 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -75.54 166.47 23.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.97 -28.66 62.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -77.89 -17.25 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 4.8 47.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.55 149.44 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 71' ' ' VAL . 17.0 tp -98.54 144.12 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 76' ' ' GLU . 67.9 t -116.64 84.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -56.84 -23.29 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ALA . 29.6 m -153.18 142.07 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.531 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.76 -21.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -43.34 -22.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.729 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.5 mt-10 -89.76 -32.59 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 83' ' ' TYR . 79.5 mt -46.51 164.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' N ' ' OH ' ' A' ' 83' ' ' TYR . 20.7 tt0 -147.34 160.19 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.57 121.02 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.56 39.32 25.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -122.52 168.31 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CE2' HD22 ' A' ' 100' ' ' LEU . 59.8 m-85 -112.38 144.5 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.585 ' CE2' HD23 ' A' ' 77' ' ' LEU . 53.9 m-85 -145.64 139.18 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.603 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.6 t -98.83 140.36 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' HB1' ' HB ' ' A' ' 60' ' ' VAL . . . -89.51 128.57 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.6 t -121.19 115.5 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 55' ' ' LEU . . . -74.75 -143.64 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 26.7 mtp180 -83.61 44.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.21 153.86 40.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 157.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 25.1 t80 -86.28 125.72 33.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -90.81 87.48 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -51.89 106.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.813 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.2 mt -134.05 153.34 79.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.92 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.603 ' CE2' HG21 ' A' ' 84' ' ' VAL . 62.4 m-85 -99.7 -32.57 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -51.81 -26.29 17.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.35 -37.29 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.947 HD11 HD13 ' A' ' 25' ' ' LEU . 16.9 mt -66.47 -28.86 68.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.739 HD22 ' CE2' ' A' ' 82' ' ' PHE . 24.3 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.81 142.77 48.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.649 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.7 m -116.58 145.49 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -105.77 113.07 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 pt -120.78 155.65 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.851 ' C ' HD22 ' A' ' 19' ' ' LEU . 33.5 m-85 -100.4 151.82 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -124.07 153.76 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.2 mt -147.68 131.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -59.29 129.42 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -59.69 116.1 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 85.6 29.64 26.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.03 110.33 16.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 94' ' ' LEU . 13.2 mt -110.65 -1.71 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.97 -31.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.47 137.16 20.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.665 2.244 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -89.34 179.84 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -136.17 116.05 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 19.5 ttp-105 -73.45 112.67 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.89 124.53 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.4 tp -86.27 145.82 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.86 121.12 21.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.74 136.22 32.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -39.43 -40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.02 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -75.14 -43.74 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.69 -33.14 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -40.29 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -93.3 116.29 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.5 t-105 -70.09 -35.45 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.26 -42.23 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.481 ' HB3' HG23 ' A' ' 38' ' ' THR . 17.0 m170 -58.64 -36.55 74.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.42 -40.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.94 -24.94 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 22.3 tp60 -80.69 -22.47 40.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mtm -95.53 -40.18 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 19' ' ' LEU . 5.3 p -53.42 -27.15 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -71.62 -47.34 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -44.17 -33.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -92.46 -45.25 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 21' ' ' ALA . 38.6 mm -115.84 97.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -93.46 99.77 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' OD1' ' A' ' 22' ' ' ASN . 17.0 mt -67.02 138.79 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.9 ptt180 -53.18 -32.73 49.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 32.0 m -76.24 -18.06 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.02 -143.42 12.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.86 175.85 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 85' ' ' ALA . 66.9 t -89.69 139.97 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -118.14 -31.19 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' O ' HD22 ' A' ' 63' ' ' LEU . 16.2 ptp180 -138.27 167.35 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 85' ' ' ALA . 4.2 mm? -122.24 147.61 46.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -141.29 132.81 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 p -76.88 168.18 20.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 66' ' ' LEU . 1.9 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.14 29.68 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 6.7 tmtm? -96.51 150.8 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 20.3 tp -99.58 129.84 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.871 HG13 ' HB2' ' A' ' 76' ' ' GLU . 76.3 t -104.19 81.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.9 -29.69 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.7 t -148.36 141.56 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.551 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.82 -21.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.3 -29.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.871 ' HB2' HG13 ' A' ' 71' ' ' VAL . 28.3 mt-10 -81.16 -29.84 34.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.491 HD12 ' CA ' ' A' ' 74' ' ' GLY . 39.2 mt -51.39 164.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -137.62 155.4 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.23 110.01 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.69 43.8 6.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -128.11 166.51 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 m-85 -103.42 141.59 35.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 95.7 m-85 -144.68 131.3 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.591 HG21 ' CE2' ' A' ' 96' ' ' TYR . 81.0 t -83.8 129.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.33 112.66 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 91' ' ' PHE . 24.6 t -101.88 137.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.99 -159.49 23.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.7 mtp85 -45.03 -33.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.3 154.82 37.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.68 175.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HB2' HG21 ' A' ' 86' ' ' VAL . 22.3 t80 -94.35 109.24 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -73.07 82.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -42.59 113.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.727 HD12 ' HA2' ' A' ' 23' ' ' GLY . 49.1 mt -151.67 152.65 30.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.591 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.2 m-85 -98.75 -37.05 9.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.452 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -52.74 -22.25 11.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -77.38 -34.28 54.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.47 HD11 HD23 ' A' ' 25' ' ' LEU . 9.3 mt -66.97 -23.49 65.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 82' ' ' PHE . 12.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -67.18 95.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -84.63 92.62 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.67 -154.73 2.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -95.68 36.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 p -91.39 146.01 24.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.39 -93.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.91 126.13 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -87.86 156.06 52.66 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -178.21 2.23 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.0 mt -58.8 105.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -128.8 75.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 9.3 tp10 -69.02 138.22 89.9 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.65 0.738 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 53.9 Cg_endo -69.79 170.12 17.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 m -126.23 128.45 47.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 11.0 m -100.87 102.39 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 34' ' ' ILE . 21.6 pt -112.53 151.73 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.1 m-85 -99.79 140.67 33.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.1 mm? -113.41 155.15 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 19' ' ' LEU . 71.2 mt -147.01 134.0 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 125.31 24.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -65.31 129.14 38.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 84.38 7.94 84.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -110.68 116.65 31.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.747 HD13 HD11 ' A' ' 99' ' ' LEU . 4.3 mm? -119.48 29.0 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.0 mp -121.65 -36.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -97.06 142.92 25.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -165.83 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.22 179.95 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -136.63 108.98 7.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.548 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 50.0 ttp85 -69.42 108.48 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.56 144.84 48.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.0 tp -107.31 139.47 41.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 17' ' ' ILE . 1.7 mt -120.73 119.76 29.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.668 0.747 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 150.36 68.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -58.28 -32.81 68.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.6 ptmm? -62.71 -29.09 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.609 HG23 ' CB ' ' A' ' 44' ' ' HIS . 5.3 m -97.4 -33.36 11.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.93 -44.17 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.7 p30 -58.63 -40.99 84.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -93.13 95.14 9.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 47.0 t-105 -51.81 -42.35 62.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 43' ' ' ASP . 4.8 t0 -55.46 -40.35 71.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.609 ' CB ' HG23 ' A' ' 38' ' ' THR . 18.4 m170 -64.89 -32.69 74.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.52 -52.36 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD21 ' NE1' ' A' ' 42' ' ' TRP . 1.9 mm? -57.43 -35.98 70.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 31.3 tp60 -62.52 -27.14 68.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.418 ' SD ' HG21 ' A' ' 38' ' ' THR . 34.6 mtp -93.99 -37.75 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -56.99 -37.29 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.6 m -62.88 -40.69 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -52.03 -30.5 25.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -96.54 -40.06 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.8 mm -122.5 89.8 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -89.36 101.13 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.35 143.08 57.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -57.99 -28.15 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.9 p -74.35 -19.0 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.48 -111.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.49 178.57 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 t -90.42 142.88 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.5 m-70 -123.74 -21.56 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -155.39 157.94 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.443 HD11 HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -114.4 155.47 26.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -144.01 130.94 20.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.648 HG22 ' CE2' ' A' ' 83' ' ' TYR . 58.7 p -77.09 172.31 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.28 -16.14 63.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.13 -17.2 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.15 19.59 11.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -81.78 160.35 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tp -118.62 121.31 39.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.0 t -103.76 98.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.596 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 34.9 mt-10 -82.68 -19.41 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 71' ' ' VAL . 84.4 p -143.28 179.54 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -81.99 26.5 3.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.84 -27.03 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.708 0.29 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.822 ' HB2' HG13 ' A' ' 71' ' ' VAL . 24.3 mt-10 -89.88 -8.48 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 71.3 mt -64.76 172.51 2.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -152.04 173.6 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -99.04 105.82 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.13 43.54 7.05 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -119.46 165.53 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.1 m-85 -105.67 141.86 36.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CE2' HG22 ' A' ' 65' ' ' THR . 70.3 m-85 -142.98 166.1 25.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 96' ' ' TYR . 32.8 t -121.84 139.95 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.78 109.12 20.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG13 ' OD1' ' A' ' 89' ' ' ASP . 38.6 t -107.28 123.57 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.63 -136.75 3.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.441 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 19.4 mtp85 -83.79 40.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' OD1' HG13 ' A' ' 86' ' ' VAL . 11.3 p30 -134.68 179.78 6.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.6 mppt? -83.44 155.09 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 83.2 t80 -73.78 112.63 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 43.2 mttp -86.55 74.69 9.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.459 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 13.1 tptp -39.56 96.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.712 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -121.6 154.82 60.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 104.36 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CE2' HG21 ' A' ' 84' ' ' VAL . 79.7 m-85 -102.72 -31.62 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.83 -18.49 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -85.49 -37.27 19.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.747 HD11 HD13 ' A' ' 25' ' ' LEU . 14.5 mt -64.15 -27.15 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.0 OUTLIER -59.98 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -96.24 100.18 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -37.95 148.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -146.14 128.26 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.13 126.07 1.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 155.84 64.87 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 t -86.37 -57.4 3.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.7 t -66.08 105.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 70.15 41.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t -110.62 133.1 53.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.67 152.78 32.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -87.97 152.17 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -94.62 146.97 23.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.02 -66.4 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -122.29 87.89 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -63.96 145.73 97.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -178.26 2.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.383 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.0 pp -108.65 11.04 26.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 39.0 mt-30 -89.32 85.2 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.3 143.62 32.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.639 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.75 171.39 14.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.734 2.289 . . . . 0.0 112.336 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -136.42 132.98 36.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 8.7 m -98.37 112.84 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.86 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.0 pt -119.8 159.74 20.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.73 ' C ' HD22 ' A' ' 19' ' ' LEU . 95.5 m-85 -106.67 138.57 42.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.769 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -120.54 151.21 39.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 52.3 mt -141.34 143.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -73.26 123.51 23.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -57.99 127.39 31.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.87 7.54 66.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.464 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.544 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.1 t70 -111.71 120.26 41.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.92 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -125.04 16.17 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -111.79 -43.5 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.34 143.03 27.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -171.0 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -91.32 -177.53 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.46 122.89 30.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HE ' HG21 ' A' ' 16' ' ' THR . 31.2 ttt180 -76.21 113.72 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.55 141.65 49.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 14' ' ' PRO . 4.6 tp -104.36 139.65 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.448 HG12 ' HE1' ' A' ' 48' ' ' MET . 53.1 mt -121.33 118.69 29.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.08 49.77 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -44.19 -60.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -40.64 -28.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 44' ' ' HIS . 53.2 m -93.02 -41.32 10.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.3 mt -45.65 -36.85 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 1.1 p30 -65.53 -39.35 91.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 36.4 mt-30 -90.67 120.2 31.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.9 t-105 -70.88 -43.55 68.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -56.22 -45.82 79.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.707 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.9 m170 -56.82 -33.95 67.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.91 -59.09 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -22.13 2.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -76.76 -33.37 58.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.448 ' HE1' HG12 ' A' ' 34' ' ' ILE . 34.7 mtp -87.85 -31.98 19.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.747 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.4 p -65.67 -36.12 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -64.97 -48.0 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -49.31 -27.66 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -97.97 -37.49 9.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 21' ' ' ALA . 7.0 mm -118.59 95.09 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -86.08 107.0 17.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.8 mp -82.98 166.23 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 ttt-85 -52.52 -31.85 37.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.4 t -74.1 -30.54 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.33 -12.45 33.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.66 149.5 18.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.057 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.474 HG21 ' HB1' ' A' ' 85' ' ' ALA . 72.3 t -88.22 154.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 5.7 m-70 -129.43 -32.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -138.87 155.74 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 mm? -115.67 161.28 18.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 55.8 m-85 -153.11 142.14 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.559 HG22 ' CE1' ' A' ' 83' ' ' TYR . 68.6 p -83.05 -179.46 7.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -86.31 -13.27 47.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -89.13 -17.07 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.09 31.36 3.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -110.93 162.43 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -123.58 144.06 49.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 73' ' ' SER . 40.9 t -107.64 136.18 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HG3' HD21 ' A' ' 70' ' ' LEU . 11.2 mt-10 -115.63 4.22 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.553 ' H ' HG12 ' A' ' 71' ' ' VAL . 1.7 t -172.36 -178.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.96 17.83 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.55 -27.03 27.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.5 mt-10 -88.98 -28.94 19.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.7 mt -46.06 127.58 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.86 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.1 tt0 -110.32 171.22 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -103.69 102.07 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.57 6.35 57.42 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.419 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 2.6 tp-100 -94.02 171.8 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.713 ' CD2' HD22 ' A' ' 100' ' ' LEU . 32.0 m-85 -111.96 133.98 53.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE1' HG22 ' A' ' 65' ' ' THR . 85.2 m-85 -132.84 127.08 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.008 HG21 ' CE2' ' A' ' 96' ' ' TYR . 39.1 t -83.1 134.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -94.3 126.47 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.7 t -122.81 128.94 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -154.44 23.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 17.8 mmm180 -54.88 -15.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.53 171.4 14.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 167.04 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 7.9 t80 -87.55 119.32 27.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -82.33 92.05 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -48.38 94.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 25' ' ' LEU . 17.1 mt -130.28 150.74 77.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.55 0.691 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 104.23 1.28 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 1.008 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.8 m-85 -99.27 -36.28 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -56.74 -16.12 15.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.26 -36.76 24.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.92 HD11 HD13 ' A' ' 25' ' ' LEU . 12.2 mt -65.01 -22.97 67.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.713 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -66.83 -60.34 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ASP . 16.8 m-85 -120.81 98.47 6.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' PHE . 2.3 t70 -37.31 154.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.7 t -108.08 -46.67 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.7 145.0 10.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -17.53 37.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 m -44.45 -51.48 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.2 p -83.51 -48.61 10.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 38.27 52.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t -97.82 -46.95 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.81 176.9 8.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -99.86 46.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m 58.25 43.71 19.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.03 -102.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 46.77 44.91 14.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -98.84 155.95 36.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.63 20.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.806 ' H ' HD12 ' A' ' 11' ' ' LEU . 4.4 mp -41.45 146.92 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -120.13 41.06 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -65.15 146.27 98.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.81 168.57 21.24 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -132.31 109.13 9.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.497 HG21 ' NE ' ' A' ' 31' ' ' ARG . 9.2 m -75.39 123.52 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG13 HD21 ' A' ' 19' ' ' LEU . 22.9 pt -129.71 157.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 96.3 m-85 -103.83 131.08 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -110.95 148.54 32.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.23 135.72 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 126.71 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -60.7 136.41 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.82 16.06 80.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -115.97 119.74 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.961 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -125.01 23.81 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.672 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.0 mp -115.85 -48.98 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -87.64 145.66 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -168.8 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.83 -174.94 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.424 ' OG ' HD11 ' A' ' 53' ' ' ILE . 4.8 p -137.06 110.1 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.497 ' NE ' HG21 ' A' ' 16' ' ' THR . 7.5 ttt85 -68.16 96.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.2 tm? -113.91 121.37 43.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 14' ' ' PRO . 5.9 tp -87.76 137.32 32.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 45' ' ' VAL . 17.5 mt -122.55 124.45 26.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.737 . . . . 0.0 111.088 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.02 58.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -43.95 -41.81 5.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.7 m -76.96 -37.74 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.4 -21.08 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -77.83 -30.83 51.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -107.16 93.24 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HZ3' HD11 ' A' ' 77' ' ' LEU . 13.2 t-105 -42.67 -45.88 4.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.01 -42.99 81.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.521 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.9 m170 -64.58 -37.31 87.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 34' ' ' ILE . 45.3 t -60.02 -50.01 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.96 -42.58 94.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -47.42 -33.49 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.2 mtp -90.63 -39.83 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.3 t -53.96 -42.22 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.5 m -60.2 -40.38 89.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -51.77 -30.72 24.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.64 -38.45 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.424 HD11 ' OG ' ' A' ' 30' ' ' SER . 46.5 mm -120.15 94.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.8 m -106.34 101.46 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.682 HD12 ' H ' ' A' ' 55' ' ' LEU . 1.6 mp -74.33 154.4 38.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -61.95 -32.11 72.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.9 p -66.72 -35.3 79.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.83 -162.0 29.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 175.15 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 48.2 t -88.52 143.53 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -122.33 -29.46 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -145.33 166.36 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 3.9 mm? -119.06 160.12 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 65.4 m-85 -155.06 126.14 7.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.402 HG22 ' CD2' ' A' ' 83' ' ' TYR . 70.9 p -71.87 179.12 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' A' ' 96' ' ' TYR . 5.0 mt -75.96 -16.53 59.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.06 -15.93 37.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.01 21.49 10.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.51 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -91.15 142.31 27.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD13 ' CZ ' ' A' ' 64' ' ' TYR . 15.5 tp -98.87 132.01 44.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 76' ' ' GLU . 92.2 t -112.43 99.92 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -92.31 7.16 44.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.513 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 5.4 t -151.81 158.93 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 29.93 2.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -22.17 14.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 71' ' ' VAL . 17.5 mt-10 -83.93 -22.51 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 ' HZ3' ' A' ' 42' ' ' TRP . 52.5 mt -66.12 145.36 55.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -131.13 162.34 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 7.1 p-10 -80.96 106.68 13.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.81 37.32 5.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -122.31 174.81 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.6 m-85 -114.85 153.28 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 76.8 m-85 -158.56 131.05 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.753 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.8 t -88.62 135.65 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.26 121.7 32.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.75 118.57 59.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.94 -133.97 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 9.1 mtp-105 -86.72 44.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.73 174.95 10.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -73.98 162.59 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 64' ' ' TYR . 86.6 t80 -82.08 102.2 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -66.69 79.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -42.55 99.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.598 HD13 ' CD2' ' A' ' 25' ' ' LEU . 9.1 mt -136.07 151.36 73.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 84' ' ' VAL . 87.1 m-85 -105.44 -33.93 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.74 -15.79 14.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.67 -36.71 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 25' ' ' LEU . 13.3 mt -65.88 -27.08 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.1 mt -59.46 -64.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -108.96 113.66 26.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -39.19 138.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -86.91 21.15 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 128.7 143.67 5.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 107' ' ' SER . 53.3 Cg_endo -69.78 -26.25 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 t -51.3 88.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 105' ' ' PRO . 23.3 m -124.25 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -46.81 154.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -158.61 107.24 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.83 -174.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -127.76 43.25 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -96.3 133.63 40.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.45 45.53 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.89 113.32 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 138.16 19.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.09 43.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLN . 6.3 mt -41.67 -63.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.0 pt20 -36.69 111.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -106.3 144.34 28.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.0 Cg_endo -69.81 159.58 52.83 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.617 2.211 . . . . 0.0 112.377 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' C ' HD12 ' A' ' 33' ' ' LEU . 19.1 m -130.19 125.01 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -89.56 121.35 31.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 HD21 ' A' ' 19' ' ' LEU . 26.5 pt -127.74 147.54 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.647 ' C ' HD22 ' A' ' 19' ' ' LEU . 81.2 m-85 -95.98 135.04 38.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -113.94 138.19 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 29' ' ' ALA . 59.2 mt -128.51 148.97 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -74.95 122.2 23.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -56.53 114.69 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.26 -3.29 58.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.11 110.31 22.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 99' ' ' LEU . 3.3 mm? -114.24 19.31 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 mp -114.54 -46.84 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.6 m-80 -91.11 143.18 28.06 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -89.92 -175.92 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 m -130.02 105.48 7.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.1 ttp85 -55.46 96.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' HD23 ' A' ' 19' ' ' LEU . 25.5 tp -117.43 137.31 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 14' ' ' PRO . 6.2 tp -107.77 149.33 28.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.442 ' N ' ' HG ' ' A' ' 33' ' ' LEU . 49.3 mt -130.57 124.38 20.94 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.728 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.83 134.64 28.31 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -36.19 -54.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -43.99 -48.94 8.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 44' ' ' HIS . 99.2 m -71.18 -41.08 70.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 36' ' ' ARG . 11.2 mt -48.6 -23.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -70.62 -37.49 73.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -102.04 124.9 48.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 35.9 t-105 -71.29 -44.21 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -31.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.519 ' HB3' HG23 ' A' ' 38' ' ' THR . 18.9 m170 -72.98 -27.03 61.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.55 -50.2 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.3 mm? -56.87 -37.82 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 17.0 tp60 -55.53 -33.04 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 39.5 mtp -93.31 -37.53 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.14 -36.49 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.0 m -63.53 -41.23 98.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -46.23 -37.45 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 11.1 mptt -89.22 -45.3 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 21' ' ' ALA . 37.7 mm -113.2 99.96 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -98.89 102.43 14.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 mt -71.92 144.58 48.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -65.44 -20.12 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -86.29 -8.38 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.18 -163.9 21.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.75 167.07 7.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 t -79.34 149.97 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.2 m-70 -125.2 -30.9 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 86' ' ' VAL . 36.6 mtm180 -147.19 178.46 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.657 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 3.9 mp -139.54 158.8 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.68 ' OH ' HD12 ' A' ' 70' ' ' LEU . 28.0 m-85 -148.88 133.75 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -68.32 173.48 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.675 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -71.88 -10.67 60.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -93.39 -16.34 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 -5.48 24.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -60.55 160.35 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.68 HD12 ' OH ' ' A' ' 64' ' ' TYR . 7.1 tt -118.65 137.35 53.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.4 t -119.4 106.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 32.9 mt-10 -87.39 -21.69 25.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 71' ' ' VAL . 85.1 p -141.37 179.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.72 23.5 4.95 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.22 -22.92 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.763 ' HB2' HG13 ' A' ' 71' ' ' VAL . 12.8 mt-10 -96.71 9.81 40.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.29 -177.6 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -160.05 156.51 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -83.13 113.01 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.81 35.63 15.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -120.75 174.17 6.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.888 ' CE2' HD22 ' A' ' 100' ' ' LEU . 19.2 m-85 -112.2 143.39 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -147.78 129.32 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 96' ' ' TYR . 44.1 t -81.82 137.82 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.47 109.01 19.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG21 ' CD1' ' A' ' 64' ' ' TYR . 74.2 t -105.32 127.34 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.55 -136.64 5.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 32.8 mtp180 -86.75 39.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.78 166.75 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -64.19 162.74 13.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.456 ' CE1' ' HA ' ' A' ' 93' ' ' LYS . 8.6 t80 -95.86 114.94 26.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -74.53 102.03 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 91' ' ' PHE . 5.9 tmtt? -56.93 91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 25' ' ' LEU . 75.6 mt -129.19 151.51 77.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 104.92 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.374 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.456 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.5 m-85 -101.43 -33.79 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -61.16 -14.13 38.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -84.52 -29.23 26.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 25' ' ' LEU . 7.0 mt -72.96 -18.93 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.888 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.1 mt -75.3 -57.87 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -147.42 122.22 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -81.8 146.6 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.3 t -104.89 -35.66 7.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 144.69 120.8 1.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 92.56 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 p -99.82 125.8 45.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -123.85 110.42 14.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 p -106.15 156.76 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -118.17 -55.23 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.89 -155.19 26.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.3 p -105.41 -46.11 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -113.69 152.54 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.42 -55.51 6.8 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 56.86 50.85 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -81.4 148.82 63.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 166.37 27.82 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 11' ' ' LEU . 3.0 mp -69.49 173.29 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -109.0 86.93 2.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.51 148.29 43.86 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.22 19.43 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 33' ' ' LEU . 2.1 t -127.13 144.88 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 m -112.51 109.2 18.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 34' ' ' ILE . 22.1 pt -119.98 153.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.599 ' C ' HD22 ' A' ' 19' ' ' LEU . 22.2 m-85 -100.85 137.39 39.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.9 mm? -112.68 148.2 35.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HB3' ' A' ' 96' ' ' TYR . 45.1 mt -142.02 142.0 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . . . -73.65 118.88 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.2 p-10 -57.46 118.3 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.04 6.76 55.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -112.38 113.64 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.964 HD13 HD11 ' A' ' 99' ' ' LEU . 4.2 mm? -113.83 8.57 17.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.6 mp -105.94 -37.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.33 139.43 24.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -169.55 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.364 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.28 177.1 6.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -131.23 104.83 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -62.46 99.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 19' ' ' LEU . 12.4 tp -110.97 137.05 49.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 15' ' ' CYS . 6.1 tp -100.92 141.67 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG22 ' HB ' ' A' ' 38' ' ' THR . 2.1 mt -126.98 119.43 22.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 145.45 57.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -46.41 -43.57 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.7 pttm -52.77 -32.35 43.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 45' ' ' VAL . 55.1 m -80.4 -40.89 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -35.21 26.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -56.58 -28.7 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.3 mm100 -114.28 143.0 45.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.597 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 31.8 t-105 -90.97 -27.89 18.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -79.51 -28.69 41.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -74.09 -21.08 60.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 38' ' ' THR . 47.9 t -79.17 -41.58 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.28 -38.69 91.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 19.7 tp60 -56.9 -32.26 65.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.3 mtp -91.01 -26.55 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 HG21 ' A' ' 60' ' ' VAL . 21.5 t -68.57 -40.59 82.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.692 ' OG1' HG23 ' A' ' 60' ' ' VAL . 46.6 m -61.26 -40.01 92.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -47.47 -31.47 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -96.57 -46.08 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 21' ' ' ALA . 34.0 mm -108.87 95.45 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -95.53 109.09 21.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.94 135.89 34.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -53.66 -20.84 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t -81.25 -26.64 35.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.22 -138.42 6.71 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.36 178.94 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG23 ' OG1' ' A' ' 50' ' ' THR . 13.6 t -82.88 140.44 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 35.0 m-70 -121.06 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.674 ' O ' HD22 ' A' ' 63' ' ' LEU . 19.7 mtp85 -136.92 176.82 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.674 HD22 ' O ' ' A' ' 62' ' ' ARG . 4.2 mm? -133.0 141.04 48.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 47.2 m-85 -140.6 129.33 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 57.9 p -71.66 -174.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.685 ' N ' HD23 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.08 -9.38 59.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -95.26 -21.08 18.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.577 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.14 15.04 12.14 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -81.76 160.37 23.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 tp -115.53 133.17 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.95 HG13 ' HB2' ' A' ' 76' ' ' GLU . 4.0 t -112.25 84.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.87 -28.27 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.776 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.5 p -142.01 160.55 39.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.99 0.17 12.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.428 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.77 -15.6 62.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.95 ' HB2' HG13 ' A' ' 71' ' ' VAL . 3.6 mt-10 -102.38 5.09 39.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.09 173.92 12.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -148.98 158.41 44.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -86.04 106.5 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.16 27.2 7.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -114.83 168.96 9.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' CE2' HD22 ' A' ' 100' ' ' LEU . 6.3 m-85 -114.16 144.33 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -143.23 138.97 30.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.709 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.8 t -91.15 140.64 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -94.45 109.02 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 91' ' ' PHE . 39.6 t -105.83 125.62 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.19 -140.92 2.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 28.9 mtm105 -85.93 39.4 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' HD3' ' A' ' 90' ' ' LYS . 8.3 t0 -140.93 158.12 44.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' HD3' ' CG ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -45.48 161.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 2.3 t80 -99.04 121.19 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -86.94 96.27 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -62.72 88.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 25' ' ' LEU . 11.8 mt -116.26 153.4 48.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.222 . . . . 0.0 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.709 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.3 m-85 -104.23 -32.78 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.509 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -56.81 -11.15 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -90.23 -33.58 16.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.964 HD11 HD13 ' A' ' 25' ' ' LEU . 10.1 mt -71.25 -19.42 62.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 82' ' ' PHE . 2.4 mt -65.94 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -113.37 105.38 13.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -61.3 170.93 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.7 m -105.62 -53.45 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.95 83.68 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -3.01 11.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t 42.78 48.05 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.7 p -68.68 -43.53 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -164.91 118.78 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -54.5 164.89 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 157.28 27.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -43.81 106.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -81.39 -51.77 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.56 -79.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -69.63 155.28 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CD ' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.94 143.56 74.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.931 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.37 27.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.664 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -92.11 173.43 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' GLU . 27.9 pt20 38.24 46.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' GLN . 1.9 mp0 -35.92 150.77 0.1 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' CB ' HD21 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.71 171.84 13.67 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.785 ' SG ' HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -121.25 129.84 53.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -104.03 98.02 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 34' ' ' ILE . 23.4 pt -115.02 151.34 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.638 ' C ' HD22 ' A' ' 19' ' ' LEU . 39.7 m-85 -99.06 140.21 33.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.638 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -112.89 153.07 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.3 mt -142.6 137.59 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.12 107.53 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.491 ' ND2' ' CE ' ' A' ' 92' ' ' LYS . 23.1 t30 -49.44 121.05 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.81 -8.03 57.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.42 114.46 28.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.867 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -113.92 16.7 18.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.25 -42.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -93.51 141.45 23.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -168.2 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 18' ' ' PHE . . . -84.9 -175.89 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -140.18 105.16 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 42.2 ttp180 -61.87 106.1 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 52' ' ' LYS . 6.0 tp -123.34 122.96 39.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 14' ' ' PRO . 6.9 tp -83.04 145.31 29.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 HD11 ' A' ' 17' ' ' ILE . 13.1 mt -130.37 118.73 18.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.79 125.74 12.49 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.896 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tpp85 -35.51 -57.34 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -35.7 -43.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 54.6 m -75.83 -40.01 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.896 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -48.76 -25.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.05 -35.26 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -111.67 106.5 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 14.4 t-105 -54.83 -39.66 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.29 -42.85 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -66.39 -38.19 86.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.2 t -58.23 -58.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 61' ' ' HIS . 65.3 mt -49.19 -42.33 39.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -48.17 -27.02 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.1 mtm -95.75 -29.98 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG12 HG21 ' A' ' 60' ' ' VAL . 75.0 t -64.95 -31.77 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.7 m -74.98 -30.44 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.45 -33.05 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' CG ' HD13 ' A' ' 32' ' ' LEU . 18.2 mmmt -98.31 -39.6 8.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.9 mm -117.98 94.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.6 m -95.28 103.71 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.76 146.94 54.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 56' ' ' ARG . 18.6 ttp-105 -59.89 -38.15 81.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.4 m -69.69 -35.24 74.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.32 -137.36 4.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.86 -175.41 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG21 HG12 ' A' ' 49' ' ' VAL . 19.3 t -93.36 147.91 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 5.0 m-70 -127.78 -30.59 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -141.44 163.89 31.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 4.3 mm? -121.13 148.45 44.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . 63.3 m-85 -149.26 134.5 18.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.751 HG22 ' CE1' ' A' ' 83' ' ' TYR . 10.1 p -75.66 -174.67 2.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.1 mt -77.55 -9.28 58.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -95.54 -24.25 16.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.62 12.66 11.31 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 160.4 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 72' ' ' GLU . 6.5 tt -120.06 118.78 31.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.003 HG13 ' HB2' ' A' ' 76' ' ' GLU . 14.4 t -104.77 81.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 70' ' ' LEU . 22.5 mt-10 -57.52 -25.16 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.1 t -152.9 147.52 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.473 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.34 -20.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 1.003 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.2 mt-10 -103.97 -13.55 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 71' ' ' VAL . 25.8 mt -60.7 151.38 29.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 81' ' ' GLN . 6.0 tt0 -111.98 167.72 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 11.0 p-10 -94.46 103.67 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.53 24.84 34.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 78' ' ' GLU . 24.5 tp60 -99.96 149.9 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.976 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.769 ' CD2' HD22 ' A' ' 100' ' ' LEU . 35.7 m-85 -90.73 117.8 29.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.751 ' CE1' HG22 ' A' ' 65' ' ' THR . 84.9 m-85 -114.13 176.2 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' TYR . 48.9 t -131.95 139.91 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.4 114.23 26.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -114.52 113.92 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.63 -141.08 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.494 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 29.2 mtt180 -83.41 40.95 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -134.77 171.23 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.11 146.64 45.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 93' ' ' LYS . 69.0 t80 -64.61 106.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.491 ' CE ' ' ND2' ' A' ' 22' ' ' ASN . 38.4 mtmt -69.21 80.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -42.79 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 9.0 mt -141.45 151.43 60.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.552 0.691 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 106.02 1.58 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.754 ' HB2' HD22 ' A' ' 66' ' ' LEU . 90.2 m-85 -102.95 -32.55 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -53.87 -25.1 29.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 12.0 pt-20 -78.69 -41.45 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.867 HD11 HD13 ' A' ' 25' ' ' LEU . 13.9 mt -56.4 -28.11 58.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.769 HD22 ' CD2' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -65.78 -64.01 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -127.26 120.43 28.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -82.37 160.32 22.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -71.92 -46.34 57.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.4 -103.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 179.19 3.85 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.6 t -48.7 -57.64 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 42.4 t -66.99 -49.82 64.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t 37.82 40.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -60.35 121.74 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.62 72.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -93.17 40.51 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -116.23 110.19 18.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.55 -141.74 3.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -135.3 112.2 10.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -99.69 144.34 28.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 168.05 22.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -57.71 132.01 51.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 58.0 mt-30 -134.0 70.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.46 148.01 85.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.3 Cg_endo -69.66 166.45 27.44 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 36.3 m -124.59 138.47 54.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.403 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 7.5 m -105.78 109.15 21.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.62 HD13 HD22 ' A' ' 77' ' ' LEU . 18.4 pt -120.81 154.3 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 9.6 m-85 -105.14 130.84 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.704 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.1 mm? -105.83 157.63 17.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.732 HD11 HD21 ' A' ' 100' ' ' LEU . 68.0 mt -143.97 140.51 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' ASP . . . -67.41 125.33 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.78 127.19 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.02 89.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -102.51 115.83 31.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 94' ' ' LEU . 3.8 mm? -114.96 23.0 12.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.766 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -118.54 -42.85 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -86.73 137.51 33.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.57 178.6 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -136.2 109.59 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -67.72 104.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -122.12 137.08 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.0 tp -96.89 139.47 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.529 HD13 HG13 ' A' ' 45' ' ' VAL . 18.0 mt -123.47 114.78 28.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 145.46 56.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH1' ' HG2' ' A' ' 12' ' ' GLN . 21.8 tpp85 -47.04 -53.86 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 9.5 ptpp? -45.4 -24.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 44' ' ' HIS . 51.8 m -99.27 -41.0 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -46.1 -43.14 14.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 2.2 p30 -59.7 -40.74 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -88.74 95.89 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.477 ' CE3' ' N ' ' A' ' 74' ' ' GLY . 19.2 t-105 -58.43 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -71.73 -21.31 61.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.605 ' HB3' HG23 ' A' ' 38' ' ' THR . 10.8 m170 -85.3 -33.16 22.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 49' ' ' VAL . 84.2 t -65.23 -40.24 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 61' ' ' HIS . 84.4 mt -68.26 -39.62 82.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -59.34 -30.28 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 38' ' ' THR . 41.0 mtp -91.25 -36.74 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 45' ' ' VAL . 24.9 t -59.26 -37.62 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.0 m -64.47 -33.8 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -56.57 -25.31 51.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -102.75 -40.93 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.22 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -82.68 100.41 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.2 mt -73.22 135.21 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -47.44 -40.27 17.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -67.89 -30.93 70.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.01 -121.5 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.24 175.47 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG13 HD22 ' A' ' 46' ' ' LEU . 14.0 p -90.96 141.37 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.521 ' HA ' HD13 ' A' ' 46' ' ' LEU . 2.7 m-70 -119.8 -18.74 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 63' ' ' LEU . 9.7 ptp180 -146.98 168.45 21.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 70' ' ' LEU . 3.5 mm? -123.52 156.77 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CB ' ' CD1' ' A' ' 91' ' ' PHE . 64.4 m-85 -150.57 131.22 13.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.609 HG22 ' CE2' ' A' ' 83' ' ' TYR . 68.2 p -74.92 176.25 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.05 -12.49 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.59 -11.9 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.58 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 110.42 -11.78 30.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.16 150.55 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 63' ' ' LEU . 7.6 tp -114.11 140.24 48.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.706 HG13 ' HB2' ' A' ' 76' ' ' GLU . 26.0 t -112.04 97.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.75 -8.36 53.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 14.8 t -163.23 146.02 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -51.67 -15.34 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.47 -24.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.723 0.297 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.706 ' HB2' HG13 ' A' ' 71' ' ' VAL . 11.6 mt-10 -92.07 -33.15 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD22 HD13 ' A' ' 17' ' ' ILE . 47.9 mt -41.72 133.82 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.8 tp10 -106.09 159.35 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 15' ' ' CYS . 22.2 t-20 -86.3 91.63 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.97 2.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 26.0 mt-30 -119.65 174.0 6.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 100' ' ' LEU . 61.5 m-85 -111.24 144.65 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.609 ' CE2' HG22 ' A' ' 65' ' ' THR . 84.3 m-85 -148.1 159.96 43.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 96' ' ' TYR . 64.5 t -115.0 137.89 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.81 109.63 20.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.11 128.41 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -90.35 -159.67 35.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.51 ' HG2' ' CE1' ' A' ' 61' ' ' HIS . 10.8 mmm180 -42.03 -25.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' GLY . 0.9 OUTLIER -75.53 173.54 10.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -178.3 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.58 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 69.6 t80 -86.77 113.54 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' LYS . 32.8 mttp -89.86 79.55 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . 12.5 tttp -37.6 115.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 25' ' ' LEU . 22.4 mt -149.61 154.83 38.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.7 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 104.19 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.6 ' HB3' HD13 ' A' ' 20' ' ' ILE . 61.5 m-85 -102.25 -31.42 10.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.64 -28.95 7.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HG3' HD23 ' A' ' 99' ' ' LEU . 13.9 pt-20 -75.8 -41.81 51.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.642 HD11 HD13 ' A' ' 25' ' ' LEU . 13.1 mt -58.45 -27.45 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 20' ' ' ILE . 4.1 mt -70.2 -56.47 6.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 2.3 p90 -137.12 115.61 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.02 127.98 36.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 104' ' ' GLY . 3.9 t -126.42 -38.12 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 103' ' ' SER . . . -34.68 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.79 18.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.5 p -79.22 159.11 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.7 p -170.78 152.04 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -133.22 146.57 51.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p 43.72 42.41 4.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.88 -48.7 3.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.5 m 46.52 42.69 11.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.381 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -99.44 107.45 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.01 -81.85 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -112.01 143.26 43.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' CD ' ' HD2' ' A' ' 10' ' ' PRO . 3.7 tppp? -84.01 137.39 40.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.544 0.688 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.484 ' HD2' ' CD ' ' A' ' 9' ' ' LYS . 54.2 Cg_endo -69.72 -169.58 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.0 mt -69.08 81.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 9.4 tt0 -104.84 100.93 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -162.79 148.64 10.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HB2' HD11 ' A' ' 33' ' ' LEU . 53.9 Cg_endo -69.74 175.24 8.34 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -152.42 110.66 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.793 HG21 ' HE ' ' A' ' 31' ' ' ARG . 31.6 m -74.48 120.72 20.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 18.1 pt -127.15 160.62 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.657 ' C ' HD22 ' A' ' 19' ' ' LEU . 43.7 m-85 -110.45 138.44 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.4 mm? -114.07 151.05 33.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.1 mt -143.45 142.44 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -71.42 125.63 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -57.62 135.77 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.14 23.08 77.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -117.56 118.55 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.8 mm? -124.49 24.02 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 25' ' ' LEU . 13.9 mm -116.08 -46.54 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.36 146.04 35.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 0.0 112.382 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.56 -179.09 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 m -132.46 112.4 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.793 ' HE ' HG21 ' A' ' 16' ' ' THR . 56.8 ttt180 -66.76 91.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.8 tp -114.24 123.61 49.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.74 HD12 ' OG1' ' A' ' 16' ' ' THR . 6.6 tt -101.66 150.99 22.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 mt -119.86 125.74 27.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.84 138.08 36.74 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' HG3' ' CG ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -34.44 -58.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -41.58 -49.39 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.9 m -71.17 -42.62 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.5 mt -46.15 -23.58 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -77.49 -35.75 53.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.0 mp0 -98.63 111.27 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.7 t-105 -66.44 -35.5 80.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -41.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -63.01 -32.95 74.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 49' ' ' VAL . 93.4 t -63.72 -41.78 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.0 mt -69.5 -33.93 73.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -62.37 -35.09 78.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.79 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.8 ptm -89.37 -38.85 13.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 45' ' ' VAL . 19.4 t -53.98 -37.78 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.5 m -66.81 -36.49 82.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -51.99 -35.56 46.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG3' HD13 ' A' ' 32' ' ' LEU . 24.0 mmmt -90.65 -39.94 12.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 21' ' ' ALA . 32.1 mm -116.6 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.4 m -88.84 100.09 12.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 60' ' ' VAL . 46.6 mt -66.22 141.0 58.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -54.34 -39.9 67.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 m -67.25 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.37 -110.44 0.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.79 177.07 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.906 HG21 ' HB1' ' A' ' 85' ' ' ALA . 42.5 t -91.14 144.0 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 3.2 m170 -123.7 -19.84 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.1 mtm-85 -146.73 164.17 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' ' 83' ' ' TYR . 3.7 mm? -119.13 146.42 45.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 45.7 m-85 -140.71 126.49 19.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.428 HG22 ' CD2' ' A' ' 83' ' ' TYR . 12.7 p -73.64 168.88 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 96' ' ' TYR . 6.0 mt -62.01 -20.1 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -84.34 -24.17 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.66 -2.26 24.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.91 152.54 44.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 63' ' ' LEU . 15.9 tp -108.87 135.39 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.846 HG13 ' HB2' ' A' ' 76' ' ' GLU . 21.9 t -106.09 83.86 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -54.17 -26.8 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ALA . 78.9 p -150.22 140.31 22.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -44.69 -20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.37 -23.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.731 0.3 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.846 ' HB2' HG13 ' A' ' 71' ' ' VAL . 25.1 mt-10 -90.48 -28.59 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' GLY . 63.1 mt -46.64 174.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -154.04 158.64 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 5.6 p-10 -80.27 108.68 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.29 35.97 6.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -122.19 171.63 8.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.746 ' CE2' HD22 ' A' ' 100' ' ' LEU . 14.6 m-85 -114.33 154.89 27.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.51 ' HB3' HD12 ' A' ' 63' ' ' LEU . 97.1 m-85 -157.82 129.57 6.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.611 HG21 ' CE2' ' A' ' 96' ' ' TYR . 99.9 t -84.85 137.1 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.906 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -90.2 121.12 31.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 91' ' ' PHE . 51.4 t -119.18 124.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.18 -145.51 17.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -56.54 -25.02 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -78.45 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -56.38 168.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 13.6 t80 -93.07 121.94 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -93.98 87.79 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.37 92.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.5 mt -120.82 154.82 57.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 104.98 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.727 ' HB2' HD22 ' A' ' 66' ' ' LEU . 83.7 m-85 -107.53 -29.01 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.662 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -19.51 32.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.4 -32.31 32.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 25' ' ' LEU . 7.8 mt -72.18 -23.16 61.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.1 mt -65.48 -63.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -108.4 104.74 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -49.58 172.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.5 m -91.41 99.18 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -81.19 -95.38 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.11 25.3 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.333 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -72.51 107.89 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.9 t -55.16 106.49 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -156.73 125.54 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -103.49 85.34 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.14 73.19 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 m -68.0 105.61 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -167.11 147.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.85 102.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -102.85 41.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -103.13 144.84 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 172.9 11.75 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.742 2.295 . . . . 0.0 112.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.674 ' H ' HD12 ' A' ' 11' ' ' LEU . 4.9 mp -50.76 125.12 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -108.49 83.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.19 155.93 71.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 174.31 9.73 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.8 m -136.97 137.53 39.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -100.27 114.99 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.84 146.04 33.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.642 ' C ' HD22 ' A' ' 19' ' ' LEU . 19.8 m-85 -95.79 133.41 39.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -108.82 145.39 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.9 mt -133.64 131.88 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -67.17 117.97 9.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -50.61 132.72 25.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 94' ' ' LEU . . . 78.66 11.14 85.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 120.07 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 94' ' ' LEU . 18.4 mt -125.22 -4.67 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.1 mp -94.95 -28.6 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.08 139.61 20.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -175.42 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.25 -179.14 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m -134.75 102.68 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 ttp180 -64.88 99.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' HG3' ' A' ' 52' ' ' LYS . 9.8 tp -118.22 129.85 55.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.1 tp -87.93 147.59 24.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -134.22 121.6 15.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.79 127.17 14.19 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.893 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.9 tmt_? -36.46 -58.03 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -35.16 -41.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 45' ' ' VAL . 29.1 m -77.92 -42.35 33.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.893 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.0 mp -45.7 -24.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.9 -40.18 94.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mm-40 -100.5 121.28 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 8.8 t-105 -71.66 -32.44 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.76 -36.29 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -72.43 -41.19 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 41' ' ' GLN . 91.3 t -56.68 -56.84 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' A' ' 60' ' ' VAL . 87.7 mt -52.19 -41.01 62.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -48.63 -29.49 4.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.2 mtm -94.85 -31.3 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 HG21 ' A' ' 60' ' ' VAL . 67.9 t -63.38 -37.52 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.8 m -67.25 -37.18 83.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.61 -29.95 64.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 32' ' ' LEU . 23.8 mmmt -95.92 -40.19 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 21' ' ' ALA . 44.8 mm -118.79 88.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -86.05 100.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.3 mp -65.31 140.78 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -53.7 -40.87 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 p -66.41 -32.18 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.03 -132.87 3.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.63 178.08 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG21 HG12 ' A' ' 49' ' ' VAL . 99.6 t -83.67 148.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.489 ' CD2' ' H ' ' A' ' 88' ' ' ARG . 12.1 m-70 -127.42 -31.7 2.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.9 mtt85 -149.24 166.58 28.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.2 mm? -119.66 148.79 42.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -142.73 136.67 29.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' CE2' ' A' ' 83' ' ' TYR . 62.3 p -82.32 165.29 20.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.12 -23.65 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -83.34 -12.19 56.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.01 55.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -71.54 152.96 42.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 63' ' ' LEU . 23.9 tp -103.88 144.25 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.948 HG13 ' HB2' ' A' ' 76' ' ' GLU . 45.0 t -117.41 81.05 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -53.76 -20.8 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.555 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 7.4 t -161.3 143.64 12.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.559 ' HA2' HD12 ' A' ' 77' ' ' LEU . . . -39.24 -24.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -42.3 -31.22 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.948 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.6 mt-10 -87.19 -29.29 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 83' ' ' TYR . 86.8 mt -55.47 165.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' CB ' ' OE1' ' A' ' 81' ' ' GLN . 2.9 tt0 -132.58 160.71 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 22.4 p-10 -82.46 97.57 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.36 34.11 4.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.458 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 8.3 mt-30 -117.83 171.53 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 100' ' ' LEU . 56.4 m-85 -105.72 151.11 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' HD23 ' A' ' 77' ' ' LEU . 89.0 m-85 -156.83 137.35 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.39 139.67 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 60' ' ' VAL . . . -89.62 109.92 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 91' ' ' PHE . 98.2 t -112.03 120.48 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASP . . . -97.63 -159.78 30.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.489 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 2.6 ptm180 -37.28 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 87' ' ' GLY . 16.4 p30 -75.61 149.62 38.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -69.14 157.92 35.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HD1' HG21 ' A' ' 86' ' ' VAL . 70.0 t80 -67.41 150.54 48.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -120.79 107.9 13.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 99.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.569 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 23.6 mt -136.04 147.51 61.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.564 0.697 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 103.69 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 51.4 m-85 -103.02 -30.85 10.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.472 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -53.27 -17.61 5.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -83.98 -30.35 26.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 25' ' ' LEU . 6.4 mt -76.11 -17.12 59.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt -68.43 -58.66 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' ASP . 89.8 m-85 -157.93 146.98 19.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 101' ' ' PHE . 8.0 t70 -34.44 121.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -120.35 103.93 9.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -131.86 -96.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 81.31 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.1 t -48.34 -50.0 32.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 p -55.81 -52.95 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.17 122.24 11.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -152.57 138.33 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.49 106.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -103.0 137.81 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -148.24 124.28 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.44 163.97 27.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -81.74 113.89 20.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HE3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.07 148.63 95.09 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.542 0.687 . . . . 0.0 110.927 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -169.83 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.67 88.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -127.01 88.26 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -83.53 143.9 45.09 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.42 21.62 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 57.6 m -124.56 124.52 42.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -89.9 114.43 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 78' ' ' GLU . 21.0 pt -119.8 153.52 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.678 ' C ' HD22 ' A' ' 19' ' ' LEU . 66.7 m-85 -105.23 133.31 50.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -109.84 159.82 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.3 mt -151.81 134.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 128.69 36.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -65.5 115.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.09 20.4 33.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.94 113.49 20.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.986 HD13 HD11 ' A' ' 99' ' ' LEU . 2.5 mm? -116.37 18.17 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 mp -110.08 -44.06 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.95 143.37 26.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -168.04 0.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 -177.73 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.0 m -133.15 101.57 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.94 97.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.96 128.67 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 tp -97.27 141.05 30.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 39' ' ' LEU . 2.1 mt -124.7 135.41 26.61 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.75 153.72 68.61 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.664 2.243 . . . . 0.0 112.394 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 4.8 tpt180 -69.3 1.12 4.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -96.02 -38.53 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.92 HG23 ' HB3' ' A' ' 44' ' ' HIS . 2.7 m -102.61 -46.64 4.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.728 ' C ' HD12 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -47.04 -42.99 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 36' ' ' ARG . 68.5 m-20 -51.01 -35.73 35.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.0 mm-40 -84.38 179.81 7.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 9.8 t-105 -114.88 -61.53 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.33 -31.13 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.92 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.5 m170 -80.14 -23.39 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 87.2 t -80.47 -44.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' A' ' 42' ' ' TRP . 1.9 mm? -61.82 -26.62 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.9 tp60 -79.49 -19.44 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.573 ' SD ' HG21 ' A' ' 38' ' ' THR . 19.7 mtp -96.25 -41.07 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 46' ' ' LEU . 7.6 p -56.21 -47.79 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 49' ' ' VAL . 49.3 m -49.99 -42.67 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -48.67 -27.37 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -103.7 -40.66 6.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.9 mm -109.75 98.94 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.8 m -91.22 109.2 20.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 60' ' ' VAL . 69.7 mt -83.4 166.29 18.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.11 64.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.5 t -65.77 -27.75 68.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.93 -15.66 16.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.4 162.18 33.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' A' ' 55' ' ' LEU . 8.6 p -95.88 146.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 4.9 m-70 -117.17 -26.49 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -146.43 155.09 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD23 HD11 ' A' ' 46' ' ' LEU . 2.2 mm? -109.62 157.49 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 58.8 m-85 -152.44 122.08 6.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.691 HG22 ' CD2' ' A' ' 83' ' ' TYR . 52.7 p -69.71 172.04 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.1 -23.78 64.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.55 -13.41 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.06 6.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -103.06 140.18 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.7 tp -96.12 136.32 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.737 HG13 ' HB2' ' A' ' 76' ' ' GLU . 38.6 t -107.89 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.26 -18.74 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 71' ' ' VAL . 32.4 p -154.65 151.5 28.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.46 ' N ' ' CE3' ' A' ' 42' ' ' TRP . . . -54.8 -12.09 3.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.463 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.88 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.737 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.9 mt-10 -93.56 -18.64 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.41 106.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.526 ' O ' HG22 ' A' ' 17' ' ' ILE . 12.8 tt0 -93.12 160.72 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -85.3 102.57 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.19 31.82 4.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -119.79 169.04 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 100' ' ' LEU . 41.7 m-85 -112.12 141.0 46.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.691 ' CD2' HG22 ' A' ' 65' ' ' THR . 89.4 m-85 -143.67 152.86 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 t -112.01 137.39 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -92.91 113.47 25.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.77 134.24 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' N ' HD13 ' A' ' 55' ' ' LEU . . . -75.85 -131.57 0.35 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.493 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 12.7 mtm105 -98.48 46.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -150.75 172.52 15.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -51.2 -176.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.5 t80 -110.45 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -73.59 81.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 18.9 tttm -55.17 106.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.552 ' HB3' HD21 ' A' ' 25' ' ' LEU . 10.4 mt -131.2 153.67 81.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 106.09 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.53 ' HD1' HD12 ' A' ' 99' ' ' LEU . 77.1 m-85 -110.1 -29.3 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -43.27 -34.29 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 98' ' ' GLU . 9.1 mp0 -76.08 -38.72 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.903 0.382 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.986 HD11 HD13 ' A' ' 25' ' ' LEU . 23.6 mt -62.98 -27.6 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 82' ' ' PHE . 1.9 mt -60.01 -68.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.38 110.13 12.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' A' ' 104' ' ' GLY . 1.2 p-10 -96.59 155.29 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' ASP . 0.9 OUTLIER 37.71 27.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ASP . . . -107.65 -91.18 2.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -24.14 30.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.3 p -78.44 110.49 13.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 t -71.0 133.34 46.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -105.68 115.69 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -49.69 -39.11 35.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.05 -100.24 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -150.3 166.09 31.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.825 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -171.31 117.85 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.49 173.55 45.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.51 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 45.41 40.38 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -93.81 138.41 22.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.545 0.688 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.27 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.709 ' H ' HD12 ' A' ' 11' ' ' LEU . 2.9 mp -65.1 121.91 15.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.66 55.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -51.29 144.55 15.52 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 171.24 14.86 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 17' ' ' ILE . 6.3 t -127.97 134.78 49.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -101.98 108.06 19.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG23 ' SG ' ' A' ' 15' ' ' CYS . 20.8 pt -121.24 150.45 24.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.577 ' C ' HD22 ' A' ' 19' ' ' LEU . 9.4 m-85 -99.34 134.25 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.5 mm? -109.17 154.14 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.8 mt -143.41 145.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.02 114.48 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.49 133.9 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.44 -3.58 84.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' HD22 ' A' ' 25' ' ' LEU . 4.4 t70 -102.33 119.15 38.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.713 HD13 HD11 ' A' ' 99' ' ' LEU . 1.3 mm? -120.42 24.9 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.71 HD12 ' N ' ' A' ' 26' ' ' ILE . 2.6 mp -118.49 -37.72 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -96.13 140.43 22.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.96 -175.24 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -141.3 110.23 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 20.2 ttp-105 -67.22 101.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD21 ' HG3' ' A' ' 48' ' ' MET . 9.3 tp -115.23 140.52 49.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 tp -103.09 141.08 36.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' HD11 ' A' ' 39' ' ' LEU . 9.7 mt -130.48 118.9 18.18 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.632 0.73 . . . . 0.0 111.153 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.7 Cg_endo -69.8 125.83 12.58 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.296 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -31.72 -42.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -47.74 -50.86 24.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 42.0 m -68.95 -40.31 79.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.7 mp -46.76 -27.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.63 -38.27 90.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 45' ' ' VAL . 40.4 mm-40 -105.54 98.21 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' O ' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -49.44 -47.18 48.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -51.78 -45.28 63.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.433 ' HB3' HG23 ' A' ' 38' ' ' THR . 7.7 m170 -64.29 -23.56 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 49' ' ' VAL . 46.4 t -73.41 -42.96 56.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' O ' ' A' ' 42' ' ' TRP . 1.8 mm? -69.22 -30.48 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 47' ' ' GLN . 20.2 tp60 -62.08 -31.58 72.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.726 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.1 ptm -93.37 -36.62 12.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 45' ' ' VAL . 42.5 t -60.27 -32.05 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 ' OG1' HG23 ' A' ' 60' ' ' VAL . 64.6 m -69.2 -31.31 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -62.16 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -96.28 -39.87 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -120.01 87.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.4 m -88.03 108.32 19.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 143.27 42.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -59.45 -21.4 60.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.2 p -79.04 -31.05 44.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.74 -111.43 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.54 -179.5 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.582 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 2.9 t -91.84 143.12 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.9 m170 -126.58 -28.88 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -143.04 164.39 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.72 157.71 26.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.506 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 53.1 m-85 -150.06 124.81 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.859 HG22 ' CE2' ' A' ' 83' ' ' TYR . 44.1 p -75.99 167.95 20.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.86 -18.99 65.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -82.21 -16.98 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.64 13.86 28.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.9 tptm -84.45 152.62 23.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 8.8 tp -106.9 135.51 48.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 76' ' ' GLU . 1.9 t -115.71 101.69 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.15 -2.99 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 71' ' ' VAL . 4.7 m -158.49 172.35 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.07 26.1 3.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.05 -17.26 17.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.973 ' HB2' HG13 ' A' ' 71' ' ' VAL . 16.4 mt-10 -107.27 16.98 23.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.75 -179.03 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -154.07 158.73 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -93.56 107.93 19.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.3 42.03 5.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -124.36 173.17 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.607 ' CE2' HD22 ' A' ' 100' ' ' LEU . 51.1 m-85 -113.9 132.82 55.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HG22 ' A' ' 65' ' ' THR . 57.1 m-85 -130.32 173.51 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -129.09 135.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' ' CG1' ' A' ' 60' ' ' VAL . . . -89.96 115.87 27.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.7 t -116.99 119.46 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.83 -129.32 1.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -85.46 28.15 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.52 163.85 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.09 144.44 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 64' ' ' TYR . 88.8 t80 -63.99 120.83 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -93.18 76.16 4.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 39.7 tptt -40.9 101.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 38.5 mt -136.24 154.98 77.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.58 0.705 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 105.42 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 44.2 m-85 -100.56 -31.65 11.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -46.28 -29.5 3.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HG3' HD23 ' A' ' 99' ' ' LEU . 15.0 pt-20 -76.6 -41.52 45.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD11 HD13 ' A' ' 25' ' ' LEU . 11.2 mt -60.47 -26.82 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.607 HD22 ' CE2' ' A' ' 82' ' ' PHE . 7.8 mt -63.39 -60.27 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -125.0 122.77 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -45.64 145.21 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -124.1 30.27 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.91 -81.13 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 174.28 9.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.1 p 39.33 35.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.8 t -116.34 44.31 2.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -133.45 99.58 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 t -159.27 153.48 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.08 45.85 3.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 p -77.31 116.69 18.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -87.48 174.28 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.87 148.8 20.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.79 147.12 43.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.937 0.399 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -96.36 142.46 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -166.81 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 mt -78.72 138.66 38.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' OE1' ' NH1' ' A' ' 36' ' ' ARG . 5.6 mp0 -127.37 96.61 4.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.7 tt0 -68.31 143.3 95.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.564 ' HB2' HD11 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.7 175.55 7.91 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 33' ' ' LEU . 3.9 t -137.49 139.61 40.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 33' ' ' LEU . 7.9 m -103.69 115.5 30.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 34' ' ' ILE . 17.0 pt -124.48 150.78 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' C ' HD22 ' A' ' 19' ' ' LEU . 14.5 m-85 -95.03 147.91 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -124.68 131.17 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.589 ' HB ' HG22 ' A' ' 84' ' ' VAL . 79.7 mt -123.33 140.8 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -68.09 131.09 44.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 30.6 t-20 -57.17 133.43 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 22' ' ' ASN . . . 66.7 28.87 73.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -119.32 128.21 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.058 HD11 HD22 ' A' ' 94' ' ' LEU . 5.5 mt -134.97 4.75 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.4 mm -97.79 -33.47 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -103.98 147.69 34.69 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -166.45 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.35 -175.67 3.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 p -135.0 102.38 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -67.49 102.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.64 123.41 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.826 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.8 tp -82.8 148.04 28.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 HD11 ' A' ' 17' ' ' ILE . 6.8 mt -124.94 126.37 25.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' CD ' ' HE3' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.962 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -46.61 -29.94 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -36.41 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 44' ' ' HIS . 3.3 m -83.78 -32.81 25.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 36' ' ' ARG . 18.1 mt -48.51 -33.94 10.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -64.68 -32.44 74.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -106.64 111.4 23.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.709 ' CZ2' HD13 ' A' ' 63' ' ' LEU . 31.9 t-105 -61.26 -45.09 95.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.88 -48.21 70.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.494 ' CB ' HG23 ' A' ' 38' ' ' THR . 17.5 m170 -55.6 -38.96 70.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 HD13 ' A' ' 34' ' ' ILE . 93.3 t -59.56 -45.45 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 42' ' ' TRP . 2.8 mm? -60.98 -39.54 90.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -57.74 -32.48 67.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.42 ' HE1' HG23 ' A' ' 34' ' ' ILE . 45.7 mtp -88.61 -24.56 22.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 t -75.5 -36.64 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' HG23 ' A' ' 60' ' ' VAL . 23.7 m -65.85 -39.86 91.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -52.87 -32.36 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -92.23 -45.07 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 21' ' ' ALA . 45.1 mm -114.38 94.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -90.67 100.78 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.1 mp -69.36 157.58 36.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -68.81 -34.52 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 p -68.45 -35.56 77.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 147.96 -150.5 22.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.29 164.45 13.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.48 HG23 ' OG1' ' A' ' 50' ' ' THR . 11.8 t -86.82 146.71 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.0 m-70 -121.57 -32.68 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -142.52 -176.28 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.709 HD13 ' CZ2' ' A' ' 42' ' ' TRP . 2.7 mp -139.08 159.45 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.889 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 37.3 m-85 -148.32 130.8 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 69' ' ' LYS . 40.5 p -66.23 176.5 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 96' ' ' TYR . 1.6 mt -71.71 -14.5 62.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -94.51 -19.06 20.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 114.05 5.41 21.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 65' ' ' THR . 27.6 tptt -62.72 159.58 16.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.889 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.9 tm? -114.92 133.07 56.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.711 HG22 ' OE1' ' A' ' 76' ' ' GLU . 26.2 t -123.46 119.18 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.808 ' HG3' HD11 ' A' ' 70' ' ' LEU . 10.7 mp0 -105.19 8.86 34.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.574 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 1.5 t -167.69 157.95 10.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -64.36 -2.24 6.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -28.29 68.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.711 ' OE1' HG22 ' A' ' 71' ' ' VAL . 15.5 mt-10 -93.06 11.98 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 90.3 mt -97.4 136.44 37.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG22 ' A' ' 17' ' ' ILE . 9.6 tt0 -120.8 166.61 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 13.3 p-10 -86.58 98.63 11.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.76 24.66 6.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.99 169.41 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.678 ' CD1' HD13 ' A' ' 100' ' ' LEU . 58.8 m-85 -114.07 144.67 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -150.5 127.25 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG22 ' HB ' ' A' ' 20' ' ' ILE . 98.0 t -80.85 138.0 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -89.33 107.92 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 64' ' ' TYR . 44.7 t -97.44 136.26 28.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -105.53 -122.83 5.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 65.0 mtt180 -91.63 42.89 1.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -146.69 166.73 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -78.11 158.2 29.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 70.2 t80 -74.33 117.52 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 94' ' ' LEU . 21.8 mtpt -78.7 95.27 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HE2' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -47.57 88.98 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 25' ' ' LEU . 13.8 mt -134.07 152.13 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 103.93 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.256 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.554 ' HB2' HD22 ' A' ' 66' ' ' LEU . 85.2 m-85 -97.95 -37.28 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.519 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -55.39 -18.8 15.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.13 -37.36 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' LEU . 11.6 mt -64.75 -21.05 66.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.678 HD13 ' CD1' ' A' ' 82' ' ' PHE . 1.8 mt -69.09 -63.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -130.43 124.88 33.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -114.0 132.53 55.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 p -56.58 -49.58 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -45.66 104.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 54.1 Cg_endo -69.78 130.89 20.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.381 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t 63.63 41.37 7.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.3 m -116.92 114.02 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.524 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -121.41 150.64 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -49.69 168.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.89 44.21 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p -101.28 83.53 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -123.31 -175.66 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.43 47.95 3.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -120.79 153.88 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -69.0 140.96 91.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.539 0.685 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLN . 10.8 mt -123.83 177.78 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 23.7 pt20 37.18 43.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.434 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 19.9 tp10 -59.58 138.68 89.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 13' ' ' GLU . 54.0 Cg_endo -69.76 174.99 8.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -139.14 139.4 37.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.451 ' OG1' ' CD1' ' A' ' 33' ' ' LEU . 14.3 m -106.36 117.34 33.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 pt -127.5 156.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 31' ' ' ARG . 89.2 m-85 -103.01 131.06 50.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.2 mm? -108.45 153.0 23.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.1 mt -142.68 144.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.4 121.5 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' CG ' HG22 ' A' ' 86' ' ' VAL . 39.3 t30 -56.89 130.8 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 92' ' ' LYS . . . 76.99 7.99 86.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.48 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.715 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.4 t70 -114.28 114.0 25.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 24' ' ' ASP . 2.9 mm? -121.12 24.42 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.16 -34.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -101.64 153.83 37.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.65 0.738 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.93 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.45 177.44 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -130.33 104.28 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.56 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 13.5 ttp180 -67.16 98.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' HB3' HD23 ' A' ' 19' ' ' LEU . 6.8 tp -114.09 132.81 55.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.5 tp -94.87 138.51 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.404 ' O ' HD11 ' A' ' 39' ' ' LEU . 7.0 mt -120.42 118.9 30.83 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.75 125.67 12.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.618 2.212 . . . . 0.0 112.356 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 39' ' ' LEU . 2.3 tmt_? -32.02 -41.56 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.73 -50.45 44.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 45' ' ' VAL . 99.1 m -69.42 -40.21 77.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 ' HA ' ' A' ' 36' ' ' ARG . 4.3 mp -45.47 -29.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -72.63 -35.63 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 44' ' ' HIS . 1.6 mp0 -100.81 75.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CE2' HD21 ' A' ' 46' ' ' LEU . 30.6 t-105 -35.85 -45.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -55.62 -45.16 77.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLN . 20.6 m170 -61.31 -29.21 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 38' ' ' THR . 74.2 t -69.03 -46.81 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CE2' ' A' ' 42' ' ' TRP . 3.1 mm? -63.89 -28.3 69.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 37.9 tp60 -74.06 -22.64 59.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.545 ' SD ' HG21 ' A' ' 38' ' ' THR . 23.9 mtp -95.56 -49.25 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.919 ' CG1' HG11 ' A' ' 60' ' ' VAL . 1.5 p -48.22 -36.68 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.86 ' OG1' HG12 ' A' ' 60' ' ' VAL . 84.3 m -59.3 -44.57 92.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.44 -28.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.82 -36.53 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.815 HG21 ' HB3' ' A' ' 85' ' ' ALA . 21.6 mm -112.29 96.92 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -99.35 115.86 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 mt -91.66 141.73 28.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -52.78 -36.51 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -71.01 -29.91 65.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.04 177.18 16.89 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.61 164.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.919 HG11 ' CG1' ' A' ' 49' ' ' VAL . 8.2 p -82.67 148.86 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.8 m-70 -123.62 -20.55 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -142.98 169.72 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.869 HD13 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -125.42 155.58 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.869 ' H ' HD13 ' A' ' 63' ' ' LEU . 36.7 m-85 -144.72 167.72 21.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 ' CD2' ' A' ' 83' ' ' TYR . 76.9 p -117.19 178.58 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.08 -18.28 58.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -86.83 -14.06 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.78 25.69 8.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 20.5 tptt -100.34 147.8 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 71' ' ' VAL . 4.1 tp -103.74 126.82 51.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.754 HG13 ' HB2' ' A' ' 76' ' ' GLU . 22.2 t -98.26 112.14 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.83 -15.43 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.5 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.5 p -141.64 168.76 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.74 28.81 2.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.57 -18.03 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.754 ' HB2' HG13 ' A' ' 71' ' ' VAL . 18.2 mt-10 -94.91 21.76 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.35 176.39 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -157.37 175.36 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -105.78 107.02 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.88 27.68 20.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -108.78 169.03 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CE1' HD13 ' A' ' 100' ' ' LEU . 60.6 m-85 -114.84 149.34 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.599 ' CD2' HG22 ' A' ' 65' ' ' THR . 15.8 m-85 -145.55 -179.32 6.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.8 t -136.87 132.79 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.815 ' HB3' HG21 ' A' ' 53' ' ' ILE . . . -89.6 112.08 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 22' ' ' ASN . 45.9 t -103.97 131.61 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.26 -142.1 12.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -63.21 -10.44 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -91.03 171.7 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 170.91 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 13.8 t80 -82.42 118.23 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -85.27 96.59 9.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 94' ' ' LEU . 2.5 tmtp? -70.38 93.36 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 1.6 mm? -128.2 157.5 74.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.25 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 69.0 m-85 -97.74 -36.03 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -48.47 -28.93 6.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' LEU . 7.3 pt-20 -73.44 -42.73 61.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.569 HD11 HD13 ' A' ' 25' ' ' LEU . 18.0 mt -58.58 -27.01 64.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.685 HD13 ' CE1' ' A' ' 82' ' ' PHE . 1.1 mt -66.2 -62.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -143.77 132.48 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -73.32 135.36 44.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 90.1 p -115.79 115.73 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.23 81.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -37.67 8.94 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.6 m -159.29 142.42 14.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.8 m -95.65 114.07 25.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -132.88 156.53 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -123.3 111.54 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.07 97.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 t -68.44 148.79 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.813 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -88.81 -46.13 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.78 136.07 29.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -40.29 152.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 151.0 44.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.559 0.695 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.3 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 pp -80.99 9.57 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -92.62 102.91 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 20.5 tt0 -82.16 141.09 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.666 0.746 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 13' ' ' GLU . 53.8 Cg_endo -69.75 171.1 15.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.588 ' C ' HD12 ' A' ' 33' ' ' LEU . 21.5 m -130.8 133.03 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.51 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 m -95.29 107.73 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.2 pt -112.3 160.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 19' ' ' LEU . 63.4 m-85 -106.09 143.77 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.732 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.1 mm? -117.14 155.92 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.592 HG21 ' CD1' ' A' ' 96' ' ' TYR . 72.2 mt -147.79 132.29 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . . . -64.71 115.0 4.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.76 123.95 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.3 37.24 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' HD22 ' A' ' 25' ' ' LEU . 19.8 t0 -77.11 112.04 13.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD11 ' A' ' 99' ' ' LEU . 3.9 mm? -120.13 27.89 8.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.0 mm -118.62 -40.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.75 149.94 36.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.731 . . . . 0.0 110.914 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -166.22 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.09 -175.52 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -131.95 117.39 18.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 ttm105 -75.15 111.8 10.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD21 ' HG3' ' A' ' 48' ' ' MET . 3.2 tp -133.72 142.69 48.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 15' ' ' CYS . 9.0 tp -105.1 142.95 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.3 mt -125.92 116.24 24.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.749 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 144.01 52.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -43.98 -49.11 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -45.97 -39.69 9.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.455 HG22 HG22 ' A' ' 45' ' ' VAL . 54.4 m -83.29 -44.65 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mt -46.1 -31.39 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.89 -39.17 83.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 mm-40 -96.98 118.35 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 73' ' ' SER . 22.3 t-105 -67.83 -47.66 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.86 -41.72 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -63.41 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.7 t -70.0 -51.0 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 42' ' ' TRP . 2.2 mm? -60.66 -25.21 66.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 10.0 tp60 -71.14 -30.41 66.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' HD21 ' A' ' 32' ' ' LEU . 5.2 ptm -93.05 -34.89 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 45' ' ' VAL . 54.5 t -58.57 -44.85 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.0 m -53.42 -40.61 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -50.11 -34.84 23.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -91.46 -45.9 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 55' ' ' LEU . 51.6 mm -115.19 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.7 m -102.02 99.74 9.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 55' ' ' LEU . 7.4 mp -68.84 133.14 47.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -45.29 -37.23 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.6 t -67.63 -32.02 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.25 -157.78 27.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 61' ' ' HIS . . . -71.63 179.41 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.8 t -86.97 139.64 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.504 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.2 m-70 -126.41 -26.16 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' HD3' HD21 ' A' ' 70' ' ' LEU . 9.3 mmt85 -135.7 153.44 51.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -122.7 141.45 51.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 51.7 m-85 -145.33 141.39 28.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 83' ' ' TYR . 33.7 p -88.75 163.96 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.04 -22.41 5.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -80.42 -30.06 37.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.34 5.58 22.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 2.2 tmtt? -74.83 154.46 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.597 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 3.1 tm? -100.75 133.35 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG13 ' HB2' ' A' ' 76' ' ' GLU . 11.7 t -107.01 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HG3' HD12 ' A' ' 70' ' ' LEU . 30.1 mt-10 -63.66 -15.82 59.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.568 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 t -157.23 150.27 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 77' ' ' LEU . . . -55.63 -11.5 4.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.9 -23.48 31.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.31 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.962 ' HB2' HG13 ' A' ' 71' ' ' VAL . 14.3 mt-10 -95.71 23.63 6.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HA2' ' A' ' 74' ' ' GLY . 42.6 mt -106.68 117.27 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 tp10 -90.67 155.89 18.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.49 103.97 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.55 35.71 3.48 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.11 175.81 7.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.719 ' CE2' HD22 ' A' ' 100' ' ' LEU . 95.9 m-85 -114.24 148.51 37.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.71 ' CD2' HG22 ' A' ' 65' ' ' THR . 29.2 m-85 -150.41 136.11 18.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.33 135.3 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' HD22 ' A' ' 63' ' ' LEU . . . -90.85 111.67 23.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -99.65 124.86 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.1 -144.57 10.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -78.8 48.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -155.68 148.05 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 148.53 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 24.4 t80 -72.78 137.44 45.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -107.11 81.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 22.0 ttmt -52.76 108.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.802 HD13 ' CD2' ' A' ' 25' ' ' LEU . 19.3 mt -132.65 154.61 81.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.24 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.236 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 20' ' ' ILE . 90.4 m-85 -102.58 -30.01 11.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -48.6 -25.21 4.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -79.17 -34.73 42.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 25' ' ' LEU . 11.9 mt -70.4 -27.33 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.719 HD22 ' CE2' ' A' ' 82' ' ' PHE . 14.0 mt -55.9 -58.81 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -107.6 104.2 13.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.69 168.59 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.0 t -71.27 -44.61 64.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.23 153.21 29.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -15.47 36.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.3 m -59.22 150.11 26.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.5 m -47.37 -44.27 23.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -56.28 -53.05 61.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.874 0.369 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -38.94 157.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.7 176.69 17.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -151.8 113.56 4.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -104.27 92.1 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.72 -136.89 3.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -96.68 90.56 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -99.35 153.39 37.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -166.81 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.86 83.95 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -103.12 96.02 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -149.21 138.75 12.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.653 0.739 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 163.64 37.5 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -136.72 125.18 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.433 HG21 ' HD3' ' A' ' 31' ' ' ARG . 7.0 m -87.76 113.34 23.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 78' ' ' GLU . 22.5 pt -125.58 152.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.669 ' C ' HD22 ' A' ' 19' ' ' LEU . 80.4 m-85 -96.56 141.29 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 18' ' ' PHE . 2.7 mm? -118.57 155.75 30.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -147.15 137.19 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -64.37 122.85 17.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 5.8 t30 -48.67 133.89 16.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.782 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 60.17 31.97 74.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 8.6 t0 -119.39 113.15 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.814 HD21 ' HB3' ' A' ' 94' ' ' LEU . 6.3 mt -115.92 2.71 13.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 mm -97.21 -33.35 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -103.41 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.32 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.22 178.26 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.1 m -141.35 111.19 6.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' HG21 ' A' ' 16' ' ' THR . 26.3 ttm180 -57.67 102.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.4 tm? -113.59 117.95 33.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.5 tp -88.49 141.75 28.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 45' ' ' VAL . 37.7 mt -129.48 116.1 18.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.671 0.748 . . . . 0.0 111.122 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.9 Cg_endo -69.79 138.08 36.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 39' ' ' LEU . 5.2 tpt180 -37.28 -49.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -47.49 -48.69 27.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.2 m -71.95 -33.75 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 36' ' ' ARG . 9.1 mt -60.58 -12.65 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.02 -17.66 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -118.39 148.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CE2' HD21 ' A' ' 46' ' ' LEU . 1.9 t-105 -98.75 -40.57 8.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.89 -15.11 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -93.99 -36.76 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 46' ' ' LEU . 2.8 p -74.27 -44.62 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.512 ' HA ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -60.78 -23.59 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 35.1 tp60 -83.17 -21.05 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 mtm -94.38 -37.9 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.625 HG23 ' HG ' ' A' ' 19' ' ' LEU . 4.8 p -57.91 -51.76 66.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.553 ' N ' HG13 ' A' ' 49' ' ' VAL . 67.6 m -42.56 -48.31 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' THR . 40.8 mt-10 -36.76 -41.07 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 7.2 mptt -84.25 -45.4 12.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HA ' ' A' ' 21' ' ' ALA . 33.4 mm -111.96 96.53 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -96.04 99.8 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 55' ' ' LEU . 8.0 mp -67.31 138.03 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -51.53 -38.77 55.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.5 p -67.43 -26.98 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.99 -109.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.09 175.2 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.62 HG21 ' HB1' ' A' ' 85' ' ' ALA . 7.2 p -93.11 148.48 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 1.5 m170 -125.44 -23.19 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.904 ' O ' HD22 ' A' ' 63' ' ' LEU . 1.7 mtp180 -128.26 -179.16 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.904 HD22 ' O ' ' A' ' 62' ' ' ARG . 3.9 mm? -138.11 137.77 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CE1' HD13 ' A' ' 70' ' ' LEU . 11.8 m-85 -138.53 139.85 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.597 HG22 ' CD2' ' A' ' 83' ' ' TYR . 28.8 p -92.75 165.92 12.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.04 -28.82 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.82 -18.31 62.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.52 22.42 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -99.15 144.22 28.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 64' ' ' TYR . 13.9 tp -97.69 142.94 28.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.966 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.5 t -109.48 96.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.06 -21.31 56.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 71' ' ' VAL . 90.7 p -146.08 175.89 10.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.22 29.3 2.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 -18.81 15.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.32 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.966 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -98.13 25.75 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.0 mt -101.44 172.31 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 17' ' ' ILE . 2.3 tp10 -158.45 158.98 35.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -85.94 127.63 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.22 32.52 55.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -120.56 170.15 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 100' ' ' LEU . 73.0 m-85 -110.21 145.82 36.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CD2' HG22 ' A' ' 65' ' ' THR . 94.7 m-85 -147.56 123.13 10.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 60.0 t -81.66 131.85 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.62 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.52 107.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.803 HG21 ' HB2' ' A' ' 91' ' ' PHE . 34.9 t -97.35 118.84 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.84 -153.82 24.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' HG2' ' NE2' ' A' ' 61' ' ' HIS . 4.7 mmp_? -51.6 -24.93 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.1 163.15 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 170.55 12.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.803 ' HB2' HG21 ' A' ' 86' ' ' VAL . 19.0 t80 -89.52 105.77 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -75.75 80.35 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 5.6 tmtm? -40.13 113.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.814 ' HB3' HD21 ' A' ' 25' ' ' LEU . 59.9 mt -145.63 155.56 52.79 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 88.6 m-85 -102.21 -28.25 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -55.09 -17.61 10.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.96 -28.75 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 96' ' ' TYR . 1.7 mt -76.13 -16.56 59.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 82' ' ' PHE . 7.1 mt -73.51 -62.9 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -120.24 118.85 31.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -41.17 149.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 t -149.48 133.1 16.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.84 121.57 21.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 146.44 60.19 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.4 p -112.39 -57.58 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -62.43 115.0 3.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -158.78 119.51 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.846 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -135.15 141.65 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.79 129.98 2.05 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -125.09 157.43 36.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -130.95 158.87 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.23 149.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.545 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -134.43 51.14 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.383 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -82.29 152.79 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 178.98 3.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.3 pp -97.32 161.05 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -93.88 -76.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -163.57 136.98 4.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.634 0.73 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.469 ' HB2' HD21 ' A' ' 33' ' ' LEU . 54.1 Cg_endo -69.73 165.1 32.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.383 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 m -137.77 125.49 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 33' ' ' LEU . 4.7 m -91.04 102.8 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 78' ' ' GLU . 20.0 pt -113.31 146.49 17.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.702 ' C ' HD22 ' A' ' 19' ' ' LEU . 94.5 m-85 -94.68 141.23 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.8 mm? -118.21 155.49 30.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -144.65 137.34 22.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.77 44.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' ND2' HG22 ' A' ' 86' ' ' VAL . 35.6 t-20 -63.59 130.2 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.25 8.88 85.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.488 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -110.9 114.52 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.904 HD13 HD11 ' A' ' 99' ' ' LEU . 2.9 mm? -121.11 20.44 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 mp -112.85 -40.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.86 148.04 34.59 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.381 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.67 -175.09 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.5 m -134.87 101.1 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -58.62 117.92 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.06 130.18 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -97.21 139.76 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 mt -125.79 126.6 24.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 144.74 55.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -52.02 -24.58 6.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 21.9 tttm -72.68 -28.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 44' ' ' HIS . 3.7 m -98.08 -22.9 15.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.09 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -69.72 -38.88 77.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 10.4 mm100 -89.47 119.28 29.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.444 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 36.2 t-105 -74.65 -26.13 59.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.9 -32.03 65.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.628 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.4 m170 -71.66 -30.65 65.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.77 -45.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -17.53 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -90.96 -30.63 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.3 mtm -89.19 -25.93 21.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 19' ' ' LEU . 1.8 p -68.99 -33.25 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.5 m -64.0 -43.29 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -49.23 -32.47 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -92.93 -44.63 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.4 mm -110.14 100.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.8 m -93.51 101.08 13.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.63 136.46 51.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -54.78 -28.3 47.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 p -82.04 -26.76 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.8 -134.28 4.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.5 -178.7 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.504 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 71.6 t -88.65 143.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 10.2 m-70 -124.2 -23.29 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -154.83 157.74 38.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.66 156.91 21.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -151.65 129.19 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -73.59 -179.25 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.6 mt -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -89.49 -13.14 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.41 9.1 42.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -77.33 157.84 30.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 tp -114.53 124.93 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.916 HG13 ' HB2' ' A' ' 76' ' ' GLU . 3.1 t -99.33 87.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -67.33 -4.93 12.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.2 t -165.66 150.55 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.98 -10.3 6.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.98 -20.65 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.916 ' HB2' HG13 ' A' ' 71' ' ' VAL . 4.6 mt-10 -98.85 -17.7 18.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 83' ' ' TYR . 22.7 mt -58.25 165.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 17' ' ' ILE . 6.2 tp10 -141.49 162.57 35.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.0 OUTLIER -93.18 118.51 31.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.95 13.6 58.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -105.49 -179.46 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.813 ' CE2' HD22 ' A' ' 100' ' ' LEU . 11.0 m-85 -120.99 151.18 40.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.428 ' CE2' HD23 ' A' ' 77' ' ' LEU . 78.9 m-85 -150.28 130.71 13.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 96' ' ' TYR . 58.9 t -85.32 134.86 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 60' ' ' VAL . . . -90.87 118.53 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.58 HG22 ' ND2' ' A' ' 22' ' ' ASN . 39.5 t -115.09 130.46 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.42 -124.37 1.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.549 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 48.6 mtp180 -98.9 45.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' LYS . 1.0 OUTLIER -150.15 136.8 19.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -36.22 152.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 8.1 t80 -80.39 122.33 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -79.5 85.68 5.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tmtt? -46.6 104.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 43.9 mt -143.16 153.41 59.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.05 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.686 ' HB2' HD22 ' A' ' 66' ' ' LEU . 87.4 m-85 -105.73 -32.31 8.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.657 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -60.35 -11.67 21.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.559 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.14 -31.64 19.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.904 HD11 HD13 ' A' ' 25' ' ' LEU . 8.4 mt -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.813 HD22 ' CE2' ' A' ' 82' ' ' PHE . 0.9 OUTLIER -72.85 -65.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.4 112.46 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -57.49 167.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -135.49 131.31 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.47 -93.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 83.47 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 t -172.1 127.64 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.2 t -130.94 129.29 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.547 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 48.0 p 36.1 44.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -107.25 178.41 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.11 142.21 6.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 p -101.84 143.3 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.372 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -52.99 -55.96 19.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.52 -104.88 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -145.7 126.03 13.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -102.69 143.55 26.82 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.94 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 19.2 mt -72.09 121.12 18.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 11' ' ' LEU . 1.3 mp0 -121.42 94.11 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -104.56 140.08 20.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.74 169.61 18.49 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 t -137.2 133.93 35.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.557 HG21 ' HE ' ' A' ' 31' ' ' ARG . 7.9 m -101.46 115.86 31.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 HD21 ' A' ' 19' ' ' LEU . 17.5 pt -122.93 154.0 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.812 ' C ' HD22 ' A' ' 19' ' ' LEU . 86.3 m-85 -99.66 143.24 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.812 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -125.07 151.13 46.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 100' ' ' LEU . 76.3 mt -140.45 153.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -81.43 133.19 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 86' ' ' VAL . 47.3 t30 -66.93 130.46 43.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.54 15.31 81.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -113.42 117.26 31.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.8 ' CD2' HD13 ' A' ' 94' ' ' LEU . 2.4 mm? -121.53 26.23 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -119.31 -40.27 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.29 136.96 21.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.76 2.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . . . -78.53 175.42 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -130.93 123.24 28.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HE ' HG21 ' A' ' 16' ' ' THR . 10.4 ttt180 -73.26 117.64 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -132.37 135.51 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD1' ' OG1' ' A' ' 16' ' ' THR . 5.4 tp -101.55 139.56 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 38' ' ' THR . 8.5 mt -125.65 117.98 24.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 111.16 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.8 139.35 39.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 7.4 tpt180 -37.24 -41.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -51.65 -46.31 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -74.25 -39.99 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.9 mt -51.86 -34.35 40.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -65.51 -24.83 67.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -115.21 123.89 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' NE1' HD21 ' A' ' 46' ' ' LEU . 17.6 t-105 -74.4 -39.8 62.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.38 -44.51 88.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.632 ' HB3' HG23 ' A' ' 38' ' ' THR . 23.2 m170 -55.73 -40.95 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.759 ' O ' HG12 ' A' ' 49' ' ' VAL . 48.2 t -62.85 -61.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.482 HD11 HD23 ' A' ' 63' ' ' LEU . 2.1 mm? -47.59 -23.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -85.38 -29.79 24.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' VAL . 8.6 mtm -88.26 -52.13 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.759 HG12 ' O ' ' A' ' 45' ' ' VAL . 2.1 p -46.46 -45.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.582 ' OG1' HG12 ' A' ' 60' ' ' VAL . 55.0 m -48.78 -55.15 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' THR . 25.9 mt-10 -38.52 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -41.81 14.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.94 97.09 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -93.76 103.88 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.31 156.34 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -62.69 -32.98 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -74.01 -29.22 61.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.55 -110.19 0.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.9 164.12 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.752 HG21 ' HB1' ' A' ' 85' ' ' ALA . 13.8 p -90.29 144.73 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 5.6 m170 -121.99 -25.64 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.476 ' O ' HD22 ' A' ' 63' ' ' LEU . 33.3 mtm180 -132.08 163.52 28.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 46' ' ' LEU . 4.1 mm? -122.87 145.1 48.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.643 ' CZ ' HD23 ' A' ' 70' ' ' LEU . 57.8 m-85 -142.53 129.32 20.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 83' ' ' TYR . 6.9 p -68.71 177.44 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 97' ' ' GLY . 5.9 mt -72.86 -16.54 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.9 -25.63 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . 113.37 23.42 5.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 4.2 tmtt? -89.7 153.6 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 tm? -102.87 132.48 49.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.951 HG13 ' HB2' ' A' ' 76' ' ' GLU . 5.9 t -112.92 85.36 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -58.67 -24.31 61.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.732 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -148.64 158.88 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -63.74 -3.4 7.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.57 -24.8 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.726 0.298 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.951 ' HB2' HG13 ' A' ' 71' ' ' VAL . 22.4 mt-10 -93.26 19.11 8.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.7 mt -97.05 161.43 13.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 81' ' ' GLN . 2.6 tt0 -142.38 156.72 45.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 79' ' ' ASN . 6.0 p30 -71.42 101.67 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.45 41.09 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 78' ' ' GLU . 40.7 mm-40 -116.87 170.03 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.847 ' CE2' HD22 ' A' ' 100' ' ' LEU . 48.8 m-85 -120.85 140.78 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CD2' HG22 ' A' ' 65' ' ' THR . 80.7 m-85 -146.76 128.45 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.12 137.71 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -92.26 119.68 32.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.615 HG22 ' ND2' ' A' ' 22' ' ' ASN . 45.7 t -113.48 129.22 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.3 -149.3 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -79.81 44.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.48 -177.24 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 150.8 39.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.443 ' CE2' ' HA2' ' A' ' 68' ' ' GLY . 18.4 t80 -80.98 110.1 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -73.38 85.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.15 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 25' ' ' LEU . 21.9 mt -133.64 150.61 75.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.428 ' HB2' ' CD ' ' A' ' 98' ' ' GLU . 53.9 Cg_endo -69.74 110.72 2.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 94' ' ' LEU . 79.3 m-85 -114.13 -30.39 6.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.666 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.3 -19.64 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 98' ' ' GLU . 12.7 mp0 -85.56 -37.67 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 25' ' ' LEU . 16.2 mt -64.23 -24.4 67.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.847 HD22 ' CE2' ' A' ' 82' ' ' PHE . 10.8 mt -64.39 -57.31 9.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -142.09 -176.31 4.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.71 141.09 1.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' ' 98' ' ' GLU . 10.8 p -134.16 -53.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -168.28 -91.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.46 7.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.647 2.231 . . . . 0.0 112.358 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.6 m 44.11 50.17 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.9 m -120.03 93.95 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -147.24 145.09 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -82.66 -55.01 4.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.68 105.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -103.08 -47.03 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 p -96.58 116.09 28.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.36 89.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -116.49 120.57 39.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -55.41 141.49 62.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 174.48 9.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.0 mt -42.41 -34.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 58.8 mt-30 -59.4 101.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 45.3 tt0 -80.63 140.36 51.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.593 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.3 Cg_endo -69.87 170.55 16.45 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' C ' HD12 ' A' ' 33' ' ' LEU . 7.0 m -137.23 135.92 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.44 HG21 ' HE ' ' A' ' 31' ' ' ARG . 20.9 m -98.04 125.85 43.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 34' ' ' ILE . 24.2 pt -125.94 167.73 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -112.83 130.99 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.942 HD13 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -125.86 150.08 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.617 HG22 ' N ' ' A' ' 21' ' ' ALA . 42.1 mt -132.25 164.18 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.617 ' N ' HG22 ' A' ' 20' ' ' ILE . . . -89.99 115.99 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 1.1 p-10 -52.19 118.09 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.05 -19.07 50.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -85.98 115.8 23.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 HD11 ' A' ' 99' ' ' LEU . 1.4 mm? -118.42 24.22 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 mp -117.46 -46.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -95.76 142.33 24.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -167.36 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.07 -178.84 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.2 m -125.02 97.27 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HE ' HG21 ' A' ' 16' ' ' THR . 55.0 ttt180 -52.87 94.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 tp -119.62 130.02 54.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 14' ' ' PRO . 5.6 tp -87.1 150.54 23.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.724 HD11 HD11 ' A' ' 17' ' ' ILE . 8.2 mt -131.94 119.38 16.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 111.145 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.89 49.18 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 12' ' ' GLN . 8.7 tpt180 -50.25 -26.4 4.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 1.3 tmtp? -70.0 -31.92 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.546 HG21 ' SD ' ' A' ' 48' ' ' MET . 93.6 m -89.35 -34.45 16.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.175 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -54.43 -24.39 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 41' ' ' GLN . 24.4 p30 -79.14 -36.65 40.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 5.8 mm100 -98.01 121.72 40.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.687 ' O ' HD23 ' A' ' 46' ' ' LEU . 10.2 t-105 -75.42 -27.49 59.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -81.04 -9.37 59.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.444 ' HB3' HG23 ' A' ' 38' ' ' THR . 11.5 m170 -95.95 -31.51 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.854 HG13 HD22 ' A' ' 46' ' ' LEU . 2.8 p -80.96 -36.75 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.854 HD22 HG13 ' A' ' 45' ' ' VAL . 1.1 mm? -74.17 -13.25 60.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 42.2 tp60 -90.08 -22.56 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 38' ' ' THR . 12.9 ptm -96.27 -29.42 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.942 HG23 HD13 ' A' ' 19' ' ' LEU . 7.3 p -65.24 -44.16 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 49' ' ' VAL . 55.3 m -52.29 -45.51 65.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -52.17 -25.71 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -101.31 -30.23 11.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.2 mm -121.38 86.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.2 m -84.44 104.5 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -76.52 162.36 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 14.5 ttp-105 -67.27 -44.54 79.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.51 -27.93 68.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.86 -117.99 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.23 166.53 10.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG13 HD12 ' A' ' 46' ' ' LEU . 12.5 p -86.86 154.9 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 7.8 m-70 -132.27 -32.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -129.48 166.95 18.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.649 ' CD2' HD11 ' A' ' 46' ' ' LEU . 4.0 mm? -121.03 153.84 36.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 63' ' ' LEU . 42.0 m-85 -152.08 130.67 12.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.8 p -74.1 -178.18 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD22 ' HB2' ' A' ' 96' ' ' TYR . 4.8 mt -75.27 -15.3 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -91.05 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.98 19.12 9.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -75.8 162.1 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 72' ' ' GLU . 2.7 tp -118.16 123.92 46.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.985 HG13 ' HB2' ' A' ' 76' ' ' GLU . 2.6 t -110.41 81.81 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' HG3' HD21 ' A' ' 70' ' ' LEU . 43.9 mt-10 -66.36 -25.48 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.768 ' O ' HG12 ' A' ' 71' ' ' VAL . 19.1 t -134.16 170.21 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.37 20.71 6.84 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.985 ' HB2' HG13 ' A' ' 71' ' ' VAL . 23.0 mt-10 -101.59 23.8 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.5 mt -96.84 165.29 12.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -151.63 169.28 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -84.63 131.85 34.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 65.2 29.68 75.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.779 ' NE2' ' H ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -101.13 147.02 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.779 ' H ' ' NE2' ' A' ' 81' ' ' GLN . 69.4 m-85 -97.92 131.9 43.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 81' ' ' GLN . 80.2 m-85 -130.67 175.23 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' TYR . 98.9 t -129.27 130.32 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.59 108.36 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 91' ' ' PHE . 53.1 t -104.41 129.01 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.86 -150.39 9.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 58.9 mtt-85 -76.41 47.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -148.47 -178.54 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -75.49 146.72 40.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.9 t80 -79.86 99.41 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -67.13 77.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.523 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 3.2 ttpm? -42.82 120.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 19.8 mt -148.26 155.36 42.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.546 ' HB2' HD22 ' A' ' 66' ' ' LEU . 95.9 m-85 -100.71 -35.06 9.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.542 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -49.93 -17.4 1.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.544 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.07 -32.68 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 25' ' ' LEU . 9.3 mt -72.06 -23.95 61.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 82' ' ' PHE . 5.4 mt -62.78 -61.24 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -144.99 129.4 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -77.99 131.76 37.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -40.94 -53.31 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -150.3 142.03 9.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.4 68.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.3 t -117.3 42.1 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.0 m -51.11 170.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.554 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -123.45 150.85 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -134.61 108.95 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.26 -119.83 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m 57.57 46.31 17.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.814 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -130.96 111.42 12.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -120.38 4.76 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -60.05 131.53 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -93.13 143.74 27.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -174.95 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 12' ' ' GLN . 14.1 mt -69.68 77.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 11' ' ' LEU . 8.3 mp0 -131.85 90.29 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.96 132.25 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.805 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.76 164.68 33.64 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 17' ' ' ILE . 42.6 t -134.97 91.71 2.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.8 m -61.69 106.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 15' ' ' CYS . 15.8 pt -119.32 150.69 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.766 ' C ' HD22 ' A' ' 19' ' ' LEU . 26.5 m-85 -102.28 145.67 29.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.6 mm? -119.69 153.12 36.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.21 148.22 20.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 53' ' ' ILE . . . -80.78 121.18 25.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.24 116.88 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.34 -16.7 55.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 25' ' ' LEU . 3.4 t0 -87.66 113.39 23.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.947 HD13 HD11 ' A' ' 99' ' ' LEU . 4.5 mm? -120.73 28.56 7.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 25' ' ' LEU . 19.5 mm -118.39 -38.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -101.7 145.57 30.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.52 174.62 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -127.48 96.46 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 27.1 ttp180 -49.36 105.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.2 tp -122.14 117.52 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.092 HD23 ' N ' ' A' ' 34' ' ' ILE . 5.7 tt -89.33 148.22 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.092 ' N ' HD23 ' A' ' 33' ' ' LEU . 26.6 mt -133.03 130.47 21.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' ARG . 53.3 Cg_endo -69.76 129.26 17.29 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' PRO . 4.9 tpt180 -36.22 -38.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 1.3 tmmt? -51.67 -47.92 63.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 HG22 ' A' ' 45' ' ' VAL . 5.6 m -68.11 -42.72 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.43 HD21 ' HB ' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -45.81 -39.7 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -46.61 -34.83 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -106.09 166.74 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 71' ' ' VAL . 15.6 t-105 -110.84 -34.91 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.16 -35.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -69.23 -40.21 78.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 38' ' ' THR . 80.1 t -58.08 -58.8 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.573 HD22 HG22 ' A' ' 60' ' ' VAL . 49.6 mt -50.57 -39.12 48.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -50.89 -30.08 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' ' 34' ' ' ILE . 24.9 mtm -92.4 -33.82 14.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG11 ' A' ' 60' ' ' VAL . 40.4 t -60.78 -38.09 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.543 ' OG1' HG12 ' A' ' 60' ' ' VAL . 93.1 m -66.96 -37.95 85.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -52.63 -32.01 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' CG ' HD13 ' A' ' 32' ' ' LEU . 61.9 mmtt -96.16 -43.58 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 21' ' ' ALA . 39.8 mm -115.99 97.86 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.8 m -98.44 101.71 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD13 ' H ' ' A' ' 87' ' ' GLY . 16.3 mt -69.39 138.87 53.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -47.13 -40.5 15.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 t -65.68 -31.21 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.73 -142.55 9.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.03 178.25 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.573 HG22 HD22 ' A' ' 46' ' ' LEU . 2.1 p -95.29 126.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' ' N ' ' A' ' 61' ' ' HIS . 2.2 m-70 -106.17 -29.52 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -136.24 158.7 43.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 46' ' ' LEU . 3.9 mm? -115.64 148.09 40.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -140.18 126.57 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -75.54 166.47 23.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.97 -28.66 62.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -77.89 -17.25 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.26 4.8 47.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.55 149.44 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 71' ' ' VAL . 17.0 tp -98.54 144.12 28.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 76' ' ' GLU . 67.9 t -116.64 84.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -56.84 -23.29 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ALA . 29.6 m -153.18 142.07 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.531 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.76 -21.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -43.34 -22.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.729 ' HB2' HG13 ' A' ' 71' ' ' VAL . 21.5 mt-10 -89.76 -32.59 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 83' ' ' TYR . 79.5 mt -46.51 164.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' N ' ' OH ' ' A' ' 83' ' ' TYR . 20.7 tt0 -147.34 160.19 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.57 121.02 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.56 39.32 25.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -122.52 168.31 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.842 0.353 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.739 ' CE2' HD22 ' A' ' 100' ' ' LEU . 59.8 m-85 -112.38 144.5 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.585 ' CE2' HD23 ' A' ' 77' ' ' LEU . 53.9 m-85 -145.64 139.18 26.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.603 HG21 ' CE2' ' A' ' 96' ' ' TYR . 46.6 t -98.83 140.36 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' HB1' ' HB ' ' A' ' 60' ' ' VAL . . . -89.51 128.57 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.6 t -121.19 115.5 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' H ' HD13 ' A' ' 55' ' ' LEU . . . -74.75 -143.64 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 26.7 mtp180 -83.61 44.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.829 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.21 153.86 40.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 157.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 93' ' ' LYS . 25.1 t80 -86.28 125.72 33.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -90.81 87.48 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -51.89 106.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.813 HD13 ' CD2' ' A' ' 25' ' ' LEU . 10.2 mt -134.05 153.34 79.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.673 0.749 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.92 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.603 ' CE2' HG21 ' A' ' 84' ' ' VAL . 62.4 m-85 -99.7 -32.57 10.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . -51.81 -26.29 17.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.35 -37.29 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.363 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.947 HD11 HD13 ' A' ' 25' ' ' LEU . 16.9 mt -66.47 -28.86 68.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.739 HD22 ' CE2' ' A' ' 82' ' ' PHE . 24.3 mt -55.25 -58.58 7.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -147.09 -175.14 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -135.84 159.17 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 t -47.37 -44.27 24.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 105' ' ' PRO . . . -42.29 102.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HD2' ' HA2' ' A' ' 104' ' ' GLY . 53.7 Cg_endo -69.74 88.27 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -71.28 143.05 50.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 p -95.42 87.81 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -73.61 91.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -102.29 -55.76 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.68 74.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -154.98 157.32 37.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -138.86 135.35 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.34 -92.27 0.67 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -83.88 43.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -91.95 132.64 32.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' LEU . 53.3 Cg_endo -69.84 160.31 50.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 0.0 112.294 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD12 ' N ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -37.57 -53.68 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.6 tp60 48.53 53.19 12.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -124.99 156.5 69.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HB2' HD21 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.81 142.77 48.61 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.649 ' C ' HD12 ' A' ' 33' ' ' LEU . 1.7 m -116.58 145.49 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -105.77 113.07 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.9 pt -120.78 155.65 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.851 ' C ' HD22 ' A' ' 19' ' ' LEU . 33.5 m-85 -100.4 151.82 21.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.851 HD22 ' C ' ' A' ' 18' ' ' PHE . 1.5 mm? -124.07 153.76 40.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.2 mt -147.68 131.75 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -59.29 129.42 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.512 ' HB2' HG22 ' A' ' 86' ' ' VAL . 0.9 OUTLIER -59.69 116.1 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.727 ' HA2' HD12 ' A' ' 94' ' ' LEU . . . 85.6 29.64 26.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.03 110.33 16.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 94' ' ' LEU . 13.2 mt -110.65 -1.71 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -97.97 -31.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.47 137.16 20.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.698 0.761 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.665 2.244 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -89.34 179.84 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -136.17 116.05 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 19.5 ttp-105 -73.45 112.67 9.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -131.89 124.53 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 15' ' ' CYS . 6.4 tp -86.27 145.82 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.86 121.12 21.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' THR . 53.8 Cg_endo -69.74 136.22 32.5 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG2' ' NE2' ' A' ' 12' ' ' GLN . 15.2 tpp180 -39.43 -40.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -43.02 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 44' ' ' HIS . 89.0 m -75.14 -43.74 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.69 -33.14 2.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -66.31 -40.29 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -93.3 116.29 28.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CZ3' ' N ' ' A' ' 74' ' ' GLY . 23.5 t-105 -70.09 -35.45 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.26 -42.23 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.481 ' HB3' HG23 ' A' ' 38' ' ' THR . 17.0 m170 -58.64 -36.55 74.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -67.42 -40.12 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.94 -24.94 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 22.3 tp60 -80.69 -22.47 40.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mtm -95.53 -40.18 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 19' ' ' LEU . 5.3 p -53.42 -27.15 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -71.62 -47.34 55.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -44.17 -33.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -92.46 -45.25 8.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 21' ' ' ALA . 38.6 mm -115.84 97.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -93.46 99.77 12.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD22 ' OD1' ' A' ' 22' ' ' ASN . 17.0 mt -67.02 138.79 57.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 57' ' ' SER . 4.9 ptt180 -53.18 -32.73 49.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 32.0 m -76.24 -18.06 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.02 -143.42 12.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.86 175.85 9.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.674 HG21 ' HB1' ' A' ' 85' ' ' ALA . 66.9 t -89.69 139.97 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -118.14 -31.19 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' O ' HD22 ' A' ' 63' ' ' LEU . 16.2 ptp180 -138.27 167.35 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 85' ' ' ALA . 4.2 mm? -122.24 147.61 46.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -141.29 132.81 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 p -76.88 168.18 20.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 66' ' ' LEU . 1.9 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.14 29.68 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 70' ' ' LEU . 6.7 tmtm? -96.51 150.8 20.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 20.3 tp -99.58 129.84 45.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.871 HG13 ' HB2' ' A' ' 76' ' ' GLU . 76.3 t -104.19 81.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.9 -29.69 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.7 t -148.36 141.56 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.551 ' N ' ' CZ3' ' A' ' 42' ' ' TRP . . . -42.82 -21.26 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -45.3 -29.56 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.319 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.871 ' HB2' HG13 ' A' ' 71' ' ' VAL . 28.3 mt-10 -81.16 -29.84 34.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.491 HD12 ' CA ' ' A' ' 74' ' ' GLY . 39.2 mt -51.39 164.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -137.62 155.4 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.23 110.01 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 84.69 43.8 6.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -128.11 166.51 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.593 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 m-85 -103.42 141.59 35.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 77' ' ' LEU . 95.7 m-85 -144.68 131.3 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.591 HG21 ' CE2' ' A' ' 96' ' ' TYR . 81.0 t -83.8 129.33 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 60' ' ' VAL . . . -89.33 112.66 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 91' ' ' PHE . 24.6 t -101.88 137.52 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.99 -159.49 23.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.7 mtp85 -45.03 -33.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -75.3 154.82 37.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.68 175.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HB2' HG21 ' A' ' 86' ' ' VAL . 22.3 t80 -94.35 109.24 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -73.07 82.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -42.59 113.57 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.727 HD12 ' HA2' ' A' ' 23' ' ' GLY . 49.1 mt -151.67 152.65 30.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.591 ' CE2' HG21 ' A' ' 84' ' ' VAL . 88.2 m-85 -98.75 -37.05 9.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.452 ' N ' HD13 ' A' ' 66' ' ' LEU . . . -52.74 -22.25 11.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -77.38 -34.28 54.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.47 HD11 HD23 ' A' ' 25' ' ' LEU . 9.3 mt -66.97 -23.49 65.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 82' ' ' PHE . 12.3 mt -68.39 -53.19 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -127.02 125.41 41.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.7 t0 65.08 38.45 6.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 93.3 p -45.58 104.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.38 114.78 0.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.42 69.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.2 m -45.97 105.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 m -159.13 177.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.97 . . . . . . . . 0 0 . 1 stop_ save_