data_1x4h_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 1x4h _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 ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.4 mttp -121.88 119.1 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 26.0 m -139.49 162.29 35.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.2 m -156.15 118.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 57.6 t80 -110.89 126.53 54.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -99.56 132.52 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 36.6 mtp180 -118.67 158.02 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.1 t30 64.56 39.63 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 59' ' ' CYS . 35.3 mt -72.67 150.21 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 15.2 t -97.92 144.73 27.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -48.88 -30.63 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.74 -32.06 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -56.4 141.9 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.38 150.53 44.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.53 -37.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.84 -59.1 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.98 -57.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.3 tt -39.14 -58.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.36 -49.21 65.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.48 -17.74 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.96 -31.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -96.22 -8.62 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -73.17 -34.11 65.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -47.43 -45.36 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.14 -43.36 92.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.65 175.46 45.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.38 131.81 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -96.09 126.3 41.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -69.24 -49.43 56.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -159.25 136.72 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.08 112.21 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -126.9 135.29 50.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.75 114.88 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 1.7 p -161.65 144.2 11.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.51 156.46 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 49.9 m-85 -122.92 134.15 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.14 171.23 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -141.34 141.15 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD2' ' CB ' ' A' ' 69' ' ' ALA . 14.7 m-85 -101.74 170.53 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtp -92.67 -17.3 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.425 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.4 p -139.97 139.82 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.77 -48.13 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.03 -36.51 60.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.579 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . . . -56.68 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.84 -44.6 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.549 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.7 mm-40 -62.33 -38.36 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -63.92 -28.88 70.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.455 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 14.5 t -73.17 -39.72 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -60.21 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.6 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -89.61 -36.34 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -11.97 60.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -145.39 140.58 27.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tp -137.43 109.11 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.38 41.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.96 30.62 72.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 29.7 mtt180 -142.28 122.27 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.96 149.19 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.4 mt -118.26 129.61 55.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -107.26 104.66 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -100.3 123.1 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -137.51 144.38 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.08 100.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.48 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.31 -179.92 7.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 66' ' ' THR . 6.2 mttp -119.57 118.32 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 30.3 m -140.12 162.26 35.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 10.9 m -157.84 118.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 41.6 t80 -112.01 123.41 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.0 mp -98.44 134.92 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -121.66 149.69 42.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t30 71.21 50.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.97 165.61 24.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 144.26 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -61.66 -16.69 50.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.6 -25.97 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.3 m -61.66 151.5 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLU . 9.3 mt-10 -141.6 147.49 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' GLU . 15.2 tt0 -34.48 -39.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.96 -47.64 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.7 tt -49.31 -54.9 14.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -62.68 -55.17 28.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -42.66 -24.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 33' ' ' GLY . 78.4 t -78.33 -57.76 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 51.3 mt -61.35 -31.93 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -55.22 -14.49 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 4.4 pt20 -64.2 -44.71 91.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 78.4 m-85 -75.04 -37.77 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.33 154.3 15.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.3 158.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.4 mt -122.91 113.84 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -53.35 -50.37 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -158.6 141.04 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.31 105.55 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -118.36 136.66 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.24 120.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -157.63 159.35 36.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.9 155.01 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -114.71 134.14 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' CB ' ' CG2' ' A' ' 18' ' ' VAL . . . -131.51 166.37 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.4 tt0 -139.82 120.52 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CD2' ' CB ' ' A' ' 69' ' ' ALA . 12.0 m-85 -80.05 163.79 23.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mmm -83.71 -17.99 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.465 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 19.1 p -141.65 149.41 40.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.43 89.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.59 -40.61 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.559 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . . . -56.03 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -43.43 -48.64 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.723 ' N ' HE21 ' A' ' 71' ' ' GLN . 0.8 OUTLIER -56.95 -48.43 78.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.59 -21.65 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.63 -24.84 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 mt -78.11 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.07 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . . . -86.58 -21.85 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . . . -84.13 -37.25 22.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 9.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -147.04 128.04 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 13.5 tp -107.49 99.9 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 74.87 47.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.91 15.12 64.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -115.57 124.06 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -64.84 133.94 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 11.4 mt -114.7 142.98 45.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -113.83 102.49 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 77' ' ' ALA . 32.5 t -98.99 127.65 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -142.23 144.46 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.84 99.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.442 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.95 179.22 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.6 mttp -117.42 118.67 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 21.1 m -139.83 161.3 37.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.514 ' N ' ' CG2' ' A' ' 17' ' ' THR . 11.5 m -152.96 122.0 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.694 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 45.9 t80 -114.63 119.82 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.58 136.4 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -122.07 159.8 26.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 t30 63.86 53.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 mt -89.88 159.57 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' SER . 7.7 t -98.37 132.06 44.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -39.9 -46.4 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' SER . 2.4 p30 -56.18 -38.65 71.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.5 p -36.76 149.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.92 142.6 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.68 -42.22 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.68 -58.06 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -58.11 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 3.8 tt -38.71 -53.66 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 35' ' ' VAL . . . -65.13 -55.23 22.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -45.9 -21.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' GLY . 41.9 t -80.89 -43.43 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 42.8 mt -75.99 -37.53 58.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' HD13 ' A' ' 42' ' ' LEU . 27.6 mt-30 -46.06 -35.59 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -48.97 -36.48 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.94 -44.29 27.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.22 157.8 29.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -52.15 123.87 11.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 37' ' ' GLN . 11.7 mt -88.02 130.94 34.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 19.7 tptp -73.96 -46.18 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -157.37 145.24 18.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -130.9 117.51 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -133.03 132.33 41.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.93 109.13 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.2 m -153.89 168.58 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . . . -154.29 158.42 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.694 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 77.7 m-85 -120.93 137.55 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.4 171.09 14.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.0 tt0 -139.11 148.32 43.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 69' ' ' ALA . 15.4 m-85 -109.42 171.78 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.459 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 mmt -95.21 -21.71 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.423 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.6 p -134.07 128.58 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -40.96 -52.8 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.18 -38.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.609 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . . . -52.63 -65.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.11 -43.29 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.469 ' NE2' ' N ' ' A' ' 71' ' ' GLN . 4.5 mm-40 -65.17 -43.89 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -61.57 -22.58 65.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.41 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 2.0 t -79.6 -33.76 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ALA . 33.6 mt -68.64 -65.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.47 -31.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.03 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.05 -19.15 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.783 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -142.66 137.7 30.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tp -120.78 101.07 7.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.67 26.96 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.69 40.16 6.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -148.06 121.19 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.24 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.89 103.3 14.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.41 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 21.9 t -100.6 128.89 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -140.87 143.12 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.75 99.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -81.93 -177.92 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.4 mttp -123.09 118.48 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 29.5 m -140.0 162.52 34.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 4.5 m -155.92 118.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.722 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 24.4 t80 -110.3 129.38 55.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.36 129.69 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -120.03 155.03 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.43 43.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 mt -78.88 150.74 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 p -85.58 139.46 31.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -56.58 -13.58 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -92.66 -26.85 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -54.0 151.92 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' GLU . 25.4 mt-10 -136.54 142.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.7 tt0 -36.3 -41.2 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.1 -65.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.7 -36.02 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tt -65.31 -52.71 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.31 -45.76 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.74 -19.3 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.8 t -83.12 -44.56 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 22.0 mt -77.03 -25.27 52.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -58.18 -31.12 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -51.41 -37.13 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.62 -43.29 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.02 168.89 42.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.43 119.9 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 10.4 mt -81.52 124.66 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.87 -46.08 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -163.04 136.63 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' CG ' ' A' ' 29' ' ' GLU . 1.5 p -124.86 112.52 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -123.15 138.18 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -117.78 124.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -161.45 168.71 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.24 156.89 19.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 74.4 m-85 -120.47 138.59 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.61 173.9 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 7.8 tt0 -142.4 143.66 32.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.51 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 10.8 m-85 -103.84 162.64 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mmt -81.67 -24.74 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.428 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.4 p -133.6 132.71 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -50.95 -36.99 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.48 -24.88 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -72.0 -51.78 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -53.38 -40.23 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.666 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -66.32 -42.86 87.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -61.09 -29.57 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.3 t -71.03 -43.9 66.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' ALA . 52.2 mt -57.37 -66.02 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.45 -32.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.69 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.95 -29.39 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.818 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 9.5 mp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -146.33 138.34 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tp -125.27 110.44 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.94 39.2 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.53 76.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -121.33 129.78 53.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -74.01 114.67 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.5 mt -83.29 134.66 34.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.83 102.62 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.5 t -98.94 127.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -143.5 142.54 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.01 -176.25 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 66' ' ' THR . 10.4 mttt -120.77 118.2 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 40.1 m -140.37 161.48 37.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.506 ' N ' ' CG2' ' A' ' 17' ' ' THR . 16.1 m -158.0 123.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 59' ' ' CYS . 46.0 t80 -115.6 120.72 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.43 134.12 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 46.1 mtm180 -120.46 151.99 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 71.93 42.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 mt -77.67 158.91 29.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.13 143.14 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.48 -37.45 67.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.3 -36.0 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -49.22 147.65 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -131.6 155.17 47.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' CG ' HG21 ' A' ' 45' ' ' VAL . 16.5 tt0 -51.1 -38.55 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -63.78 -51.98 62.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.75 -55.85 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.9 tt -43.82 -51.6 7.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.9 45.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -52.17 -16.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.43 -45.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -75.19 -29.59 60.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -47.48 -32.08 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -84.7 -45.96 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.84 164.16 37.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.73 131.56 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.34 112.41 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -55.59 -46.29 77.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -163.96 145.33 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.422 HG21 ' CG ' ' A' ' 29' ' ' GLU . 1.6 p -132.2 115.1 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.94 131.09 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.71 112.57 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 16.2 p -160.99 155.96 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.42 162.56 38.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 22.2 m-85 -119.69 139.77 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.48 168.73 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 13.3 tt0 -142.02 123.49 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 11.1 m-85 -82.85 171.51 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -97.84 -4.44 36.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.467 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 20.3 p -150.88 136.07 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -46.89 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.12 -47.52 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . . . -47.89 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.3 -51.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.548 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.6 mm-40 -60.86 -41.72 96.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -63.07 -24.61 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.88 -36.59 41.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.97 -26.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.06 -33.88 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.71 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.78 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -146.65 134.42 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tp -120.55 109.49 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.96 39.27 13.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.78 28.87 62.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -126.71 124.79 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.717 0.294 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -71.3 106.78 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.2 mt -79.61 123.83 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -105.39 102.28 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.23 126.38 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 143.09 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.02 99.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.439 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -87.04 -175.62 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 65' ' ' MET . 10.1 mttt -122.31 118.92 29.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 26.1 m -139.53 162.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.523 ' N ' ' CG2' ' A' ' 17' ' ' THR . 5.6 m -156.37 118.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.739 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 37.0 t80 -112.63 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.43 141.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.26 156.13 43.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t30 65.76 45.91 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD12 ' CA ' ' A' ' 59' ' ' CYS . 43.7 mt -78.1 157.04 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 14.9 t -101.19 142.16 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -49.34 -37.62 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 89' ' ' ASP . 4.1 t70 -61.45 -30.74 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 88' ' ' LEU . 8.5 t -54.47 155.14 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.3 mt-10 -154.56 139.89 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 28' ' ' GLU . 14.6 tt0 -34.58 -42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -55.4 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.89 -56.29 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -43.32 -51.54 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.2 -57.32 15.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -44.6 -23.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.46 -51.13 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.86 -33.65 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.405 ' N ' HD11 ' A' ' 42' ' ' LEU . 30.7 mt-30 -50.23 -29.25 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -51.19 -47.27 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 85.9 m-85 -66.75 -50.74 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.38 172.93 39.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.24 133.0 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 37' ' ' GLN . 22.3 mt -96.94 122.19 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.6 -46.75 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -161.22 132.15 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.51 109.46 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -121.91 135.4 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.36 114.9 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 15.9 p -159.28 166.91 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.29 156.86 29.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 68.6 m-85 -120.06 134.62 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.27 168.18 19.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -138.86 136.21 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -96.34 169.93 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.446 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 11.1 mtp -93.79 -14.65 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.407 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 50.9 p -140.75 138.9 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.14 -46.08 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 9.5 tp10 -52.11 -36.02 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.526 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -59.49 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.68 -44.36 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.5 mm-40 -66.1 -41.57 90.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 56.2 mttt -64.46 -25.14 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.7 t -77.59 -34.83 53.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -67.32 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.15 -26.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . -88.14 -30.57 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -38.64 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 76' ' ' ALA . 8.1 mp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.888 0.375 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -138.83 136.81 36.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.428 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 5.7 tp -123.07 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 4.7 m-20 61.81 32.35 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.71 40.12 27.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 11.3 mtt-85 -147.72 122.13 9.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -56.82 145.02 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.4 mt -117.41 136.79 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -115.0 107.34 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.47 129.22 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -141.09 145.12 35.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 99.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.33 -175.02 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 65' ' ' MET . 10.4 mttt -120.71 118.69 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 24.1 m -139.87 160.97 38.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.173 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.504 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.7 m -156.58 118.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.8 t80 -111.44 125.36 53.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.48 138.62 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 14.2 mtp180 -124.05 156.94 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 t30 68.11 40.81 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -75.16 146.86 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -86.01 142.47 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.18 -35.2 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -68.51 -36.39 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' ASP . 15.6 p -35.1 147.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' GLU . 46.0 mt-10 -141.77 135.17 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLU . 24.0 tt0 -36.78 -44.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.18 -60.71 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.73 18.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.5 tt -41.36 -50.91 3.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.33 -55.91 24.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -47.33 -22.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.14 -37.88 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.86 -24.04 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.02 -30.96 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 1.9 pt20 -48.89 -47.33 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 82.7 m-85 -69.25 -54.68 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.67 169.69 33.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.44 121.09 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 118.21 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -60.9 -38.86 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -166.74 132.35 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.15 115.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -133.87 129.81 36.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.77 124.01 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 13.4 m -145.09 168.57 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.75 161.83 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -124.17 137.88 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.34 170.11 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -138.27 148.24 44.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 14.0 m-85 -108.77 171.84 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.447 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 10.4 mtp -96.29 -14.17 22.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -138.93 140.0 38.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.5 -47.56 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -52.96 -37.97 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.525 ' HB3' ' CG ' ' A' ' 64' ' ' PHE . . . -52.39 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.43 -50.4 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.635 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -57.87 -48.52 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -56.56 -27.19 57.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.8 t -78.34 -35.23 47.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.36 -62.31 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.04 -29.38 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 -38.4 22.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -34.74 74.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.768 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 86' ' ' LEU . 10.7 mp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -141.07 129.7 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -115.11 99.77 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.67 33.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.23 20.17 63.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -120.32 126.0 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 111.68 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.9 mt -80.46 111.97 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -92.55 105.15 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.6 t -101.24 127.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.64 144.84 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 99.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.46 179.84 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.6 mttp -118.3 118.33 31.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 21.7 m -140.0 161.24 38.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.509 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.6 m -152.84 119.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CE2' ' HG3' ' A' ' 21' ' ' ARG . 48.2 t80 -112.74 124.98 53.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.6 134.39 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.507 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 37.3 mtp180 -118.46 149.28 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 t30 72.17 49.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 38.9 mt -82.55 150.74 26.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -90.47 139.72 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.19 -41.27 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.57 -30.15 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 p -45.63 152.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.1 mt-10 -139.37 136.51 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CG ' HG21 ' A' ' 45' ' ' VAL . 17.6 tt0 -37.22 -44.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.57 -57.67 11.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.78 -51.95 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.9 tt -45.19 -54.8 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.63 90.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -51.35 -22.12 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.62 -51.39 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.31 -22.82 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -56.63 -23.79 43.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.529 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 5.7 pt20 -65.69 -32.22 73.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 68.1 m-85 -94.08 22.58 5.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.68 155.51 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.74 141.47 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.53 129.99 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -72.67 -50.07 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -151.98 135.57 16.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG21 ' CG ' ' A' ' 29' ' ' GLU . 1.6 p -124.68 109.38 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -124.16 135.33 53.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.86 110.89 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 p -161.74 147.66 13.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -152.76 159.74 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 57.7 m-85 -121.89 135.26 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.409 ' C ' HG22 ' A' ' 18' ' ' VAL . . . -134.4 177.86 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.1 tt0 -148.51 139.85 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 13.9 m-85 -101.2 171.99 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 mmt -82.5 -33.81 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 27.0 p -132.6 143.11 49.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 93.9 mt-30 -47.45 -52.27 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -46.07 -41.76 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -53.8 -60.83 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.529 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -45.77 -35.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.587 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.8 mm-40 -68.52 -40.36 80.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -64.33 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.4 t -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 48.8 mt -68.58 -68.48 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -74.38 -31.84 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.21 -33.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -141.25 128.93 21.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 tp -116.05 131.94 56.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 48.6 29.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.04 34.71 32.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -138.7 129.23 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.06 139.91 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.6 mt -113.36 132.81 55.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -109.83 105.32 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 27.8 t -97.53 131.41 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 23.3 t0 -145.43 142.55 29.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.6 99.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -80.82 176.92 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.8 mttp -121.26 118.37 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 37.2 m -140.15 162.74 34.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 8.6 m -158.12 118.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.2 t80 -111.74 124.8 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.0 mp -98.95 134.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -120.09 150.79 40.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.76 53.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD12 ' CA ' ' A' ' 59' ' ' CYS . 62.9 mt -94.52 151.93 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 145.19 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.35 -40.07 70.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 27' ' ' SER . 2.3 p30 -60.05 -37.47 79.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 41.4 t -47.61 139.16 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' GLU . 16.4 mt-10 -120.73 141.89 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLU . 10.1 tt0 -37.17 -33.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.6 mt-10 -72.82 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.56 -32.53 12.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.6 -51.81 25.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.98 94.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -53.58 -23.98 12.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.81 -40.6 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.67 -28.47 45.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' HD12 ' A' ' 42' ' ' LEU . 24.6 mt-30 -57.73 -37.51 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -44.24 -33.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -80.54 -53.55 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.55 162.38 34.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.2 131.19 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 37' ' ' GLN . 6.6 mt -95.47 130.1 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -72.54 -43.85 62.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -163.81 146.27 9.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.19 107.62 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -119.77 134.59 55.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.22 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 29.1 p -157.4 162.42 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.07 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 56.7 m-85 -114.62 136.58 52.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -132.54 174.36 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -145.45 137.18 25.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 m-85 -98.49 164.68 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.2 mtp -85.26 -20.5 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.441 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 39.0 p -140.45 132.24 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -43.54 -51.79 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.81 -40.58 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.569 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -57.11 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.65 -45.99 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.698 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -61.56 -46.56 89.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.56 -24.69 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 2.3 t -79.29 -31.42 43.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 28.2 mt -75.17 -63.25 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.79 -36.18 18.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.71 80.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.368 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -146.76 141.47 26.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.36 98.68 6.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 70.07 49.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.12 32.92 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -132.67 120.39 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -71.47 117.52 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.5 mt -88.8 124.61 34.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -101.02 102.34 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.448 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 21.6 t -96.89 128.71 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -143.21 143.37 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.76 99.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.8 -177.16 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 6.1 mttp -125.87 118.36 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 53.7 m -140.07 163.51 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' N ' ' CG2' ' A' ' 17' ' ' THR . 6.8 m -158.09 118.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.9 t80 -111.14 121.85 46.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -95.58 138.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -125.71 157.95 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 t30 64.46 49.27 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -87.87 149.64 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 5.3 t -89.59 128.3 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -55.4 -41.37 72.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' SER . 41.2 t -39.43 157.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.2 mt-10 -145.94 136.29 23.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLU . 20.1 tt0 -34.97 -42.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.89 -60.39 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.6 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.4 tt -49.41 -50.32 41.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.64 -56.43 24.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -51.95 -16.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.1 -39.08 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' C ' ' CD ' ' A' ' 37' ' ' GLN . 4.3 pp0? -50.25 -18.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -57.52 -44.93 85.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.433 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.7 m-85 -75.26 -24.85 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.25 141.01 4.07 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -46.69 118.86 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.31 141.05 43.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -86.2 -44.66 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -158.65 124.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -116.82 117.9 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -129.62 136.89 50.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.1 p -119.31 117.44 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 73.0 m -153.39 153.13 31.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.03 153.13 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 33.5 m-85 -117.58 132.53 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.95 174.18 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -139.9 146.8 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 69' ' ' ALA . 15.3 m-85 -105.93 171.05 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 mmt -85.84 -32.19 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.423 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 40.1 p -130.19 145.62 51.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.08 -50.1 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -51.57 -38.31 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.569 ' HB2' ' CD2' ' A' ' 64' ' ' PHE . . . -51.86 -58.51 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.43 -52.94 51.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.625 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -55.26 -39.86 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.7 t -74.36 -38.93 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' ALA . 68.0 mt -59.37 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.31 -27.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.75 -27.76 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.57 -33.94 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -144.22 127.5 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -119.43 101.29 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t0 73.12 41.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.41 37.35 79.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -142.5 120.81 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -62.26 123.65 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.48 123.88 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -104.56 103.29 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 t -103.96 127.0 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -138.59 145.04 40.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.07 100.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -84.87 -175.3 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 5.0 mttp -119.45 117.9 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 98' ' ' ALA . 55.0 m -140.37 152.78 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 8.3 m -148.61 118.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 21' ' ' ARG . 40.9 t80 -110.36 125.93 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -100.18 137.3 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.0 mtt180 -123.96 169.92 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.4 t30 54.82 42.92 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -77.38 155.58 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.4 p -98.42 132.71 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.06 -31.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.85 -37.92 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 t -45.91 162.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.29 165.24 30.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.99 -35.77 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.15 -56.87 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.76 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -42.83 -54.12 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.22 -54.59 35.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -46.1 -21.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.3 t -79.05 -43.99 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 32.5 mt -76.26 -37.49 57.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' GLN . 53.4 mt-30 -46.19 -42.32 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pt20 -37.99 -39.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 81.9 m-85 -80.11 -48.29 13.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.5 152.06 21.55 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -48.89 128.85 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 15.1 mt -89.83 114.52 26.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -55.26 -41.66 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -164.19 146.72 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.46 112.16 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -126.22 132.17 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.6 110.29 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 29.3 p -161.43 152.38 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.88 155.74 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 27.6 m-85 -119.16 134.93 54.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.68 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.5 tt0 -144.56 131.94 20.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 10.6 m-85 -90.03 169.88 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.51 -24.5 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.473 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 17.8 p -140.97 145.86 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 7.8 mm-40 -51.5 -49.75 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -46.45 -42.53 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -55.03 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -42.27 -45.0 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.73 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -64.68 -40.98 96.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -64.42 -25.83 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.3 t -79.17 -37.22 38.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 96' ' ' ASP . 96.0 mt -62.1 -60.29 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.06 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -76.95 -31.28 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.59 -37.0 57.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.789 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 86' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -147.51 144.55 28.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -135.57 110.9 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.62 29.89 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.76 26.27 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -127.2 120.95 29.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.94 107.15 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.95 132.46 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.68 102.44 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.55 129.83 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.472 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.0 t70 -144.84 143.63 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.94 -177.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.7 mttp -123.59 118.82 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 32.4 m -139.69 162.61 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' N ' ' CG2' ' A' ' 17' ' ' THR . 4.7 m -156.08 118.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.9 t80 -111.22 128.08 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.73 132.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.515 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.4 mtp85 -119.54 150.1 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 70.98 47.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD11 ' CA ' ' A' ' 59' ' ' CYS . 51.2 mt -78.98 148.55 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 t -81.89 144.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.81 -15.98 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.49 -19.01 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.422 ' OG ' ' CD2' ' A' ' 88' ' ' LEU . 67.0 m -51.83 155.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.53 159.19 44.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.97 -35.91 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.95 -52.1 47.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -56.54 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.3 tt -40.78 -53.73 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.23 -47.52 90.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.88 -14.46 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.18 -27.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 mt -97.54 -22.14 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 42' ' ' LEU . 22.1 mt-30 -61.04 -36.31 79.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.73 -37.58 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -74.96 -49.09 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.16 174.58 42.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.19 127.94 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 37' ' ' GLN . 14.0 mt -93.41 105.02 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -47.58 -49.62 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -159.05 136.31 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.61 104.81 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -117.12 134.07 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.71 110.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 6.7 m -154.35 163.38 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.62 166.69 31.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 23.1 m-85 -127.33 137.3 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.451 ' CB ' ' CG2' ' A' ' 18' ' ' VAL . . . -134.06 169.49 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -145.08 126.17 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 19.9 m-85 -87.64 171.67 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -94.03 -22.51 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.424 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.0 p -132.87 133.06 42.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.88 -51.51 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -49.68 -37.79 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.27 -63.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.38 -48.56 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -61.14 -42.39 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -62.17 -21.86 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.465 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 3.5 t -82.34 -32.75 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.49 -66.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.67 -32.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.21 -36.26 27.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.27 -22.49 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -139.73 135.54 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 1.7 tp -116.47 104.7 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 64.21 30.26 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.76 17.99 57.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -122.36 117.73 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -59.93 130.5 47.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 mt -104.14 133.86 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -110.63 104.89 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.465 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 35.6 t -97.62 126.73 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -139.96 142.56 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -84.47 -176.21 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -122.24 118.41 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 35.0 m -139.95 162.76 34.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 4.7 m -158.17 118.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.2 t80 -112.91 125.22 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.91 140.08 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.9 mtp85 -123.27 152.28 41.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t30 69.04 45.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.94 156.89 38.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -100.74 139.07 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -51.8 -28.61 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -72.32 -33.92 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.1 m -49.1 156.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -149.36 140.15 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CG ' HG23 ' A' ' 45' ' ' VAL . 14.5 tt0 -38.34 -40.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.21 81.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.04 -56.97 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.3 tt -40.07 -56.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.89 -44.51 98.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.37 -17.57 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.2 t -89.75 -40.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.45 -9.84 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -71.8 -32.69 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 3.8 pt20 -49.61 -51.08 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 59.2 m-85 -57.75 -57.29 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.76 -174.72 23.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.21 120.94 22.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.52 131.78 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -81.48 -51.7 8.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.2 p90 -154.56 127.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 29' ' ' GLU . 1.7 p -116.29 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -122.06 133.19 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -119.33 113.29 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.909 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 22.1 p -159.04 170.51 21.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.52 159.49 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 47.0 m-85 -122.81 132.37 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.69 169.39 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -138.18 140.38 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 12.8 m-85 -98.67 171.91 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 mmt -94.91 -12.2 27.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -144.9 142.01 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.82 -49.07 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -51.5 -42.76 61.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.516 ' HB3' ' CG ' ' A' ' 64' ' ' PHE . . . -50.28 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.78 -55.57 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.1 mm-40 -53.55 -43.99 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -61.53 -26.18 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.461 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 1.7 t -79.74 -27.08 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 77' ' ' ALA . 25.4 mt -75.25 -67.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.61 -34.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.12 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.11 -38.3 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.78 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -146.87 127.78 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 5.9 tp -117.26 120.9 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.6 26.15 15.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.91 32.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -139.37 129.22 24.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -58.87 140.58 55.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 33.7 mt -112.51 116.8 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -98.7 105.3 17.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.461 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 58.7 t -101.44 128.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.98 144.89 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 100.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -86.61 -176.55 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.0 mttp -124.34 118.97 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.517 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 34.1 m -139.47 162.62 34.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' N ' ' CG2' ' A' ' 17' ' ' THR . 5.9 m -157.24 118.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 3.0 t80 -111.48 124.72 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.69 130.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ASN . 7.8 ttp180 -107.31 -176.19 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 35.1 t30 34.12 54.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 60' ' ' ALA . 15.2 mt -82.28 149.05 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.78 143.67 39.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -67.41 -15.82 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.22 -17.11 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -56.77 151.22 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -134.37 141.95 47.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 11.6 tt0 -38.9 -41.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.91 -59.6 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.88 -54.59 44.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -45.03 -49.33 11.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.12 -48.7 67.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.5 -18.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.01 -45.97 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -77.5 -19.26 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.74 -38.25 84.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -41.84 -44.61 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -71.09 -58.68 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.24 169.17 31.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.52 117.44 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.52 122.82 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -65.69 -48.66 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.2 p90 -155.73 136.6 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.453 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 1.6 p -123.96 115.88 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -128.57 134.95 48.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.84 110.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.42 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -161.84 143.3 11.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' HD11 ' A' ' 23' ' ' LEU . . . -142.73 143.08 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -101.77 138.36 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.75 168.76 19.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.8 tt0 -141.29 141.14 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 69' ' ' ALA . 15.3 m-85 -101.8 172.01 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mmt -88.81 -28.2 20.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.427 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 22.4 p -131.31 145.48 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -53.33 -50.24 65.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.75 -38.66 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . . . -53.58 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.666 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -57.78 -45.3 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -58.46 -27.5 64.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.444 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 9.7 t -76.25 -33.18 59.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.2 mt -68.02 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.68 -28.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.97 -35.07 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 -28.62 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.784 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -134.44 141.37 46.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.55 109.8 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.98 28.28 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.01 26.57 31.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -124.63 129.63 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -76.14 106.27 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.23 128.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -107.34 103.64 13.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.444 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 45.3 t -97.39 122.95 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.91 144.64 41.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.93 100.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -84.39 -175.63 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 66' ' ' THR . 11.2 mttt -122.42 118.63 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 37.9 m -139.74 162.85 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.523 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.3 m -158.3 119.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 40.3 t80 -113.06 123.91 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -95.89 132.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -119.57 148.48 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 72.03 51.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD13 ' CA ' ' A' ' 59' ' ' CYS . 66.0 mt -79.23 164.97 23.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.42 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 2.9 t -103.72 143.08 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -50.54 -39.05 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -36.33 84.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 p -41.67 147.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ALA . 17.2 mt-10 -145.66 135.39 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 tt0 -35.26 -41.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -62.72 -47.91 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . -70.95 -55.93 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tt -39.25 -51.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.49 -56.55 23.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -43.09 -25.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 t -77.56 -50.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 mt -75.67 -16.51 60.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.04 -19.54 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.5 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -66.98 -56.1 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.18 175.04 34.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.89 122.81 17.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.352 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 mt -82.36 114.56 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -59.71 -47.07 87.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -160.91 140.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -127.9 112.66 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -128.89 129.72 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.47 124.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.2 p -157.81 165.31 35.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' N ' HD11 ' A' ' 23' ' ' LEU . . . -157.59 153.34 26.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.4 m-85 -116.29 135.8 53.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.67 168.83 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -136.52 137.19 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 9.8 m-85 -94.46 170.79 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.04 -6.57 38.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.421 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 25.0 p -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -53.11 -47.58 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.11 -37.61 64.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -57.28 -61.73 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -44.78 -52.05 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.575 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -57.38 -45.34 84.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.75 -26.19 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.4 t -78.16 -30.93 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.9 mt -71.06 -67.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.54 -30.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.71 -34.53 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -70.11 -27.79 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -138.35 133.7 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tp -115.6 100.83 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.5 27.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.29 18.87 54.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.42 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 30.4 mmt-85 -117.83 116.68 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -61.23 118.85 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.02 136.4 35.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -114.86 102.98 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.5 t -97.12 123.9 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -136.74 144.01 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.88 100.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.39 174.45 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 65' ' ' MET . 9.9 mttt -119.32 118.32 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.529 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 33.7 m -140.1 162.92 34.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.529 ' N ' ' CG2' ' A' ' 17' ' ' THR . 8.1 m -156.59 128.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' CYS . 62.0 t80 -120.2 119.55 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.432 HG21 ' CD2' ' A' ' 23' ' ' LEU . 1.7 mp -97.0 132.82 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.15 173.79 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 t30 48.38 54.98 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 60' ' ' ALA . 18.9 mt -86.18 143.13 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.4 t -78.21 142.12 38.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.2 -17.15 57.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.88 -15.51 29.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.2 m -63.32 155.34 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -133.41 169.73 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.05 -35.8 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.9 -44.76 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.76 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.4 tt -50.62 -53.32 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.44 -49.9 72.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -50.23 -20.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 45.3 t -86.3 -37.26 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 39.6 mt -90.03 -1.13 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.03 -39.11 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.2 pt20 -41.41 -45.95 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -63.82 -58.46 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.25 -166.57 13.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -84.88 119.03 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -82.05 126.5 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -71.63 -58.54 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.1 p90 -148.43 129.91 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 p -116.46 113.26 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.3 138.59 52.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.01 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.8 m -156.53 157.54 35.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' N ' HD12 ' A' ' 23' ' ' LEU . . . -153.29 162.87 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 79.3 m-85 -122.58 142.36 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -142.11 171.02 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -142.23 133.75 26.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 m-85 -96.79 164.49 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.45 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 3.8 mmt -87.27 -16.8 34.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.429 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 22.1 p -138.03 144.66 41.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 6.5 mm-40 -60.53 -43.83 96.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.73 -30.24 65.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . . . -62.47 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.71 -47.63 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.603 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -60.55 -38.04 83.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.96 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.99 -41.75 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 86.0 mt -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.14 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -27.9 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.91 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -139.64 127.4 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 6.5 tp -106.79 98.58 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.26 38.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.02 9.47 87.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -110.87 118.23 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.67 123.53 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 23.9 mt -97.0 129.23 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.91 102.16 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.44 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.7 t -96.71 126.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -140.98 141.83 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.32 99.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.65 150.14 32.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.2 mttp -121.0 118.61 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.52 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 25.0 m -139.98 162.41 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.52 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.1 m -154.54 120.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.705 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -112.83 118.77 35.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -95.41 132.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -118.59 161.95 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 64.04 48.81 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -85.68 147.53 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -86.93 143.06 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -52.16 -26.06 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -75.16 -32.89 61.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.3 t -48.47 159.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -148.97 175.57 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -72.52 -35.5 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.79 -48.57 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.16 -50.4 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.3 tt -48.24 -59.33 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.25 -48.09 82.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.537 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -52.74 -20.07 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 80.3 t -81.26 -46.73 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD2' ' SG ' ' A' ' 73' ' ' CYS . 80.1 mt -74.82 -27.29 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.82 -32.07 51.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 3.0 pt20 -53.12 -39.67 63.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -73.51 -39.95 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.37 157.7 21.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.541 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.37 144.21 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -110.8 111.48 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -57.61 -54.69 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -152.1 130.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.95 111.9 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -123.75 131.19 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.79 120.61 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 19' ' ' PHE . 3.9 m -132.97 174.3 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.09 153.81 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 20.8 m-85 -119.31 135.19 54.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.21 167.43 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -135.74 143.71 45.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 9.4 m-85 -105.41 171.89 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.0 mmt -95.39 -21.38 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.426 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.6 p -137.6 130.08 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.83 -53.97 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -48.5 -35.84 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.57 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . . . -55.1 -64.3 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.65 -46.59 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.539 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.4 mm-40 -60.38 -41.77 94.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -61.85 -25.04 67.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 5.2 t -79.94 -35.18 38.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.3 mt -68.42 -65.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.34 -27.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.87 -31.45 17.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.07 -28.56 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -142.39 138.59 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 tp -115.13 101.3 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 73.26 25.31 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.48 34.19 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.31 129.59 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -73.98 107.86 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.93 125.48 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -97.9 102.23 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.8 t -99.47 123.65 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.29 144.68 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 99.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -78.22 163.81 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 3.6 mttp -122.28 118.52 28.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.52 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 44.2 m -140.03 162.98 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.52 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.5 m -157.04 118.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 14.1 t80 -112.48 124.26 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.88 134.66 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -119.88 149.52 41.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.68 45.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.68 150.31 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -98.53 136.53 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.18 -39.2 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.84 -26.7 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -62.17 168.66 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -147.17 134.9 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.67 -48.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' CG ' ' H ' ' A' ' 31' ' ' ALA . 5.5 pt-20 -57.1 -59.28 5.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' H ' ' CG ' ' A' ' 30' ' ' GLU . . . -56.25 -56.05 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.0 tt -39.43 -52.25 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.67 -58.8 11.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -40.86 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' GLY . 67.9 t -76.88 -48.67 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 52.7 mt -71.89 -28.37 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' N ' HD13 ' A' ' 42' ' ' LEU . 37.7 mt-30 -54.38 -33.78 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -45.61 -42.75 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -74.45 -41.04 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.53 152.19 18.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.25 116.14 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -75.45 125.01 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 16.8 tptp -64.15 -42.43 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -158.82 144.35 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 HG12 ' CD ' ' A' ' 29' ' ' GLU . 2.8 p -130.36 118.84 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -135.93 136.25 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 29' ' ' GLU . 7.7 p -119.62 121.73 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.61 155.91 24.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.59 155.08 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 42.3 m-85 -118.69 137.07 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -135.33 178.31 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 27.6 tt0 -146.21 153.86 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 15.9 m-85 -114.77 170.24 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.469 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 5.1 mmt -85.71 -29.08 24.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.464 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 58.7 p -138.05 135.5 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 72.1 mt-30 -40.9 -53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.54 -44.78 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -54.39 -55.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.69 -48.18 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.644 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.8 mm-40 -59.72 -39.82 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.35 -33.7 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.85 -35.84 79.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.71 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.45 -33.59 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -30.28 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.66 9.41 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 -179.752 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -143.13 128.82 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tp -116.65 105.73 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 69.34 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.48 78.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -136.09 123.7 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -70.88 106.89 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.78 132.57 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -108.14 102.4 11.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.33 133.09 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.64 144.44 30.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.77 103.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.498 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -86.83 -178.58 6.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 66' ' ' THR . 4.4 mttp -129.72 118.67 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 84.4 m -139.87 161.11 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG2' ' A' ' 17' ' ' THR . 11.4 m -154.63 118.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.697 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 43.5 t80 -110.67 124.3 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.23 129.88 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 41.0 mtm180 -116.46 148.39 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 72.83 49.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.4 mt -85.27 160.81 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 p -100.12 136.07 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.73 -45.57 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.02 -36.48 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 p -43.29 151.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -139.0 138.4 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 14.1 tt0 -38.6 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -69.11 -60.31 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.31 65.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.9 tt -45.32 -53.14 8.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.35 -59.01 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -40.61 -24.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLY . 95.4 t -77.11 -51.75 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.43 -27.95 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.77 -41.48 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -38.35 -42.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -75.66 -48.91 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.36 154.65 25.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.02 122.48 11.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -81.06 125.05 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CD ' ' HE3' ' A' ' 65' ' ' MET . 41.4 tptt -68.0 -44.39 76.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -159.6 129.42 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -119.37 111.6 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.23 137.75 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.7 121.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.9 p -147.38 167.24 24.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.78 29.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.5 m-85 -119.47 133.2 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 171.62 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.36 142.25 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 69' ' ' ALA . 20.5 m-85 -102.41 171.87 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.468 ' HE3' ' CD ' ' A' ' 43' ' ' LYS . 5.5 mmt -89.53 -25.61 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 40.9 p -133.51 138.82 46.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -48.65 -50.47 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -50.9 -38.07 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.57 ' HB2' ' CD2' ' A' ' 64' ' ' PHE . . . -53.7 -60.39 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.41 32.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.724 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.0 OUTLIER -61.07 -46.48 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -58.53 -31.52 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.1 t -72.96 -31.75 64.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 93.3 mt -67.41 -65.92 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -26.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.37 22.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.85 -37.29 59.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.77 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.871 0.367 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -147.71 132.24 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 tp -116.86 99.22 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.6 27.63 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.35 25.84 35.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -126.5 120.62 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.42 120.29 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.25 132.14 39.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -110.05 102.6 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.0 t -97.48 127.21 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.9 t70 -141.59 142.91 33.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 100.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.32 -176.7 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 66' ' ' THR . 3.8 mttp -126.75 118.68 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 54.7 m -139.77 160.72 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' N ' ' CG2' ' A' ' 17' ' ' THR . 5.8 m -154.45 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.747 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 52.2 t80 -112.7 121.98 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.86 138.66 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -121.69 158.77 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t30 66.52 37.77 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 18.4 mt -70.25 148.8 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -93.2 138.72 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -53.05 -22.9 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.96 -35.99 59.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -49.77 162.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 143.83 23.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' CG ' HG23 ' A' ' 45' ' ' VAL . 15.4 tt0 -38.85 -40.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -58.29 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.24 -57.02 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -39.31 -58.82 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -56.98 -48.1 81.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.76 -19.32 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.7 t -87.29 -32.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -88.52 -19.03 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.49 -28.43 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -49.84 -43.88 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -69.18 -49.41 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.87 179.77 38.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.98 127.56 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.96 119.34 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' GLN . 17.8 tptm -61.25 -46.09 91.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -162.97 135.32 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG23 ' CG ' ' A' ' 29' ' ' GLU . 1.2 p -120.65 112.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.33 134.64 52.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 p -118.13 126.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 29.0 p -156.81 166.32 33.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 23' ' ' LEU . . . -150.49 164.92 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.747 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 48.7 m-85 -128.84 133.6 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.76 171.82 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.7 tt0 -139.65 138.33 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD1' ' CB ' ' A' ' 69' ' ' ALA . 14.0 m-85 -97.85 171.89 8.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mtp -95.07 -20.05 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.421 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 9.2 p -135.95 129.51 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.25 -50.07 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 12.5 tp10 -50.59 -40.74 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.594 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -50.13 -63.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.03 -43.63 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.681 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.6 mm-40 -65.67 -37.12 85.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 67.6 mttt -68.89 -23.91 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.36 -35.55 27.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 60.9 mt -67.32 -61.21 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.02 -33.21 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.06 -28.33 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.08 -12.01 59.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.823 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -147.47 148.01 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 3.3 tp -129.99 97.85 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.95 40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.95 13.89 82.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -114.74 128.3 56.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -71.84 113.3 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 32.7 mt -83.85 106.82 15.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -90.72 102.62 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 18.4 t -100.45 130.15 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 11.6 t70 -141.79 144.56 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.92 100.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -82.76 -178.6 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -153.91 174.76 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -164.09 128.94 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.08 -110.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p 53.09 40.97 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -90.5 166.3 13.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.21 141.31 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -88.6 150.9 47.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 125.77 12.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -109.87 108.62 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.3 170.83 9.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -102.25 131.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -136.68 166.12 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -79.3 93.27 5.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -135.34 45.29 1.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.4 mttp -121.88 119.1 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 26.0 m -139.49 162.29 35.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.2 m -156.15 118.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 57.6 t80 -110.89 126.53 54.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -99.56 132.52 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 36.6 mtp180 -118.67 158.02 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.1 t30 64.56 39.63 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 59' ' ' CYS . 35.3 mt -72.67 150.21 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 15.2 t -97.92 144.73 27.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -48.88 -30.63 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.74 -32.06 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -56.4 141.9 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.38 150.53 44.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.53 -37.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.84 -59.1 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.98 -57.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.3 tt -39.14 -58.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.36 -49.21 65.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.48 -17.74 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.3 t -85.96 -31.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.1 mt -96.22 -8.62 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -73.17 -34.11 65.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -47.43 -45.36 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.14 -43.36 92.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.65 175.46 45.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.38 131.81 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.6 mt -96.09 126.3 41.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -69.24 -49.43 56.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -159.25 136.72 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.08 112.21 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -126.9 135.29 50.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.75 114.88 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.04 143.33 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -120.53 159.7 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 1.9 t-80 -56.39 140.65 72.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.563 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 53.4 Cg_endo -69.79 -30.13 22.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -80.23 -61.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 55' ' ' HIS . 5.8 t -117.56 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.14 35.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 53' ' ' THR . 2.9 m-70 -75.39 121.17 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.1 m -60.34 100.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -59.99 151.1 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.2 45.9 2.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 1.7 p -161.65 144.2 11.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.51 156.46 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 49.9 m-85 -122.92 134.15 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.14 171.23 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -141.34 141.15 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD2' ' CB ' ' A' ' 69' ' ' ALA . 14.7 m-85 -101.74 170.53 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtp -92.67 -17.3 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.425 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.4 p -139.97 139.82 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.77 -48.13 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.03 -36.51 60.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.579 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . . . -56.68 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.84 -44.6 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.549 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.7 mm-40 -62.33 -38.36 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -63.92 -28.88 70.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.455 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 14.5 t -73.17 -39.72 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -60.21 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.6 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -89.61 -36.34 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -11.97 60.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -90.34 96.34 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -52.36 -21.57 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 80' ' ' GLU . 5.4 tm-20 -71.28 -44.58 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.24 171.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.37 101.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.12 72.01 0.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.96 -137.33 4.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.62 116.87 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 mp -102.32 155.19 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -145.39 140.58 27.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tp -137.43 109.11 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.38 41.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.96 30.62 72.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 29.7 mtt180 -142.28 122.27 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.96 149.19 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.4 mt -118.26 129.61 55.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -107.26 104.66 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -100.3 123.1 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -137.51 144.38 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.08 100.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.48 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.31 -179.92 7.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.9 p -161.08 139.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 p -90.99 89.11 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -94.05 150.2 20.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -122.74 101.47 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.3 99.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -173.03 125.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -166.49 157.66 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.3 p -96.05 137.74 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -96.49 144.45 17.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.88 26.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 m -66.68 173.64 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.5 p -129.02 170.36 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -97.74 91.76 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -64.56 -58.75 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -162.67 -128.79 0.97 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' GLY . 75.1 p 35.02 42.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -86.61 -57.2 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.83 64.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -46.84 144.05 3.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.9 4.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -91.22 -51.9 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.98 141.69 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.07 -42.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.3 m -38.51 144.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -92.98 86.53 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.86 44.85 1.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 66' ' ' THR . 6.2 mttp -119.57 118.32 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 30.3 m -140.12 162.26 35.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 10.9 m -157.84 118.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 41.6 t80 -112.01 123.41 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.0 mp -98.44 134.92 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -121.66 149.69 42.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t30 71.21 50.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.97 165.61 24.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 144.26 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -61.66 -16.69 50.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.6 -25.97 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.3 m -61.66 151.5 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLU . 9.3 mt-10 -141.6 147.49 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' GLU . 15.2 tt0 -34.48 -39.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.96 -47.64 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.7 tt -49.31 -54.9 14.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -62.68 -55.17 28.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -42.66 -24.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 33' ' ' GLY . 78.4 t -78.33 -57.76 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 51.3 mt -61.35 -31.93 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -55.22 -14.49 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 4.4 pt20 -64.2 -44.71 91.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 78.4 m-85 -75.04 -37.77 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.33 154.3 15.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.3 158.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.4 mt -122.91 113.84 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -53.35 -50.37 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -158.6 141.04 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.31 105.55 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -118.36 136.66 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.24 120.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p -62.32 117.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 mt -121.64 161.95 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -57.5 139.36 80.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.2 Cg_endo -69.79 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -131.03 -53.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -95.91 176.7 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.25 41.26 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.66 144.48 25.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 m -80.57 110.59 16.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -49.36 -37.91 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.13 14.53 3.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -157.63 159.35 36.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.9 155.01 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -114.71 134.14 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' CB ' ' CG2' ' A' ' 18' ' ' VAL . . . -131.51 166.37 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.4 tt0 -139.82 120.52 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' CD2' ' CB ' ' A' ' 69' ' ' ALA . 12.0 m-85 -80.05 163.79 23.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mmm -83.71 -17.99 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.465 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 19.1 p -141.65 149.41 40.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.43 89.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.59 -40.61 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.559 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . . . -56.03 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -43.43 -48.64 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.723 ' N ' HE21 ' A' ' 71' ' ' GLN . 0.8 OUTLIER -56.95 -48.43 78.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.59 -21.65 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 2.7 t -86.63 -24.84 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 mt -78.11 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.07 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.412 ' HB3' ' CD1' ' A' ' 86' ' ' LEU . . . -86.58 -21.85 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . . . -84.13 -37.25 22.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -79.78 108.6 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.62 -29.2 36.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 81' ' ' ALA . 11.9 pt-20 -72.02 -46.79 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 80' ' ' GLU . . . -58.95 -177.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.91 168.76 12.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.47 -68.3 2.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.02 -145.16 12.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.51 145.99 17.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 9.2 mp -87.33 152.18 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -147.04 128.04 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 13.5 tp -107.49 99.9 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 74.87 47.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.91 15.12 64.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -115.57 124.06 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -64.84 133.94 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 11.4 mt -114.7 142.98 45.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -113.83 102.49 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 77' ' ' ALA . 32.5 t -98.99 127.65 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -142.23 144.46 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.84 99.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.95 179.22 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.14 138.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 102.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -122.62 143.1 49.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.75 115.9 31.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 101.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.38 144.07 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.67 166.37 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -129.09 149.98 50.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -163.53 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 111.2 2.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.5 p -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.4 m -161.31 137.35 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -121.57 106.77 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -170.25 161.11 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 143.33 3.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -78.03 165.56 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -68.35 -67.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.34 85.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -55.03 151.15 17.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.0 p -162.41 134.28 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.46 118.77 10.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.59 -43.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 p 41.7 51.8 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -160.51 166.76 28.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.31 29.64 3.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.6 mttp -117.42 118.67 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.514 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 21.1 m -139.83 161.3 37.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' N ' ' CG2' ' A' ' 17' ' ' THR . 11.5 m -152.96 122.0 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.694 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 45.9 t80 -114.63 119.82 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.58 136.4 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -122.07 159.8 26.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 t30 63.86 53.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 mt -89.88 159.57 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' SER . 7.7 t -98.37 132.06 44.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -39.9 -46.4 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' SER . 2.4 p30 -56.18 -38.65 71.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.5 p -36.76 149.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.92 142.6 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.68 -42.22 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.68 -58.06 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -58.11 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 3.8 tt -38.71 -53.66 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 35' ' ' VAL . . . -65.13 -55.23 22.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -45.9 -21.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' GLY . 41.9 t -80.89 -43.43 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 42.8 mt -75.99 -37.53 58.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' HD13 ' A' ' 42' ' ' LEU . 27.6 mt-30 -46.06 -35.59 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -48.97 -36.48 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.94 -44.29 27.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.22 157.8 29.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -52.15 123.87 11.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 37' ' ' GLN . 11.7 mt -88.02 130.94 34.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 19.7 tptp -73.96 -46.18 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -157.37 145.24 18.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -130.9 117.51 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -133.03 132.33 41.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.93 109.13 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.68 122.31 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.28 164.77 11.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.428 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -56.53 136.91 76.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.9 Cg_endo -69.76 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -129.41 -57.39 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -98.09 175.48 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -87.42 -20.3 26.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -53.66 149.78 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 m -61.21 154.35 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -81.0 -39.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . 137.16 -1.2 3.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 2.2 m -153.89 168.58 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . . . -154.29 158.42 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.694 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 77.7 m-85 -120.93 137.55 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.4 171.09 14.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.0 tt0 -139.11 148.32 43.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.609 ' CD2' ' CB ' ' A' ' 69' ' ' ALA . 15.4 m-85 -109.42 171.78 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.459 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 mmt -95.21 -21.71 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.423 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.6 p -134.07 128.58 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -40.96 -52.8 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.18 -38.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.609 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . . . -52.63 -65.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.11 -43.29 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.469 ' NE2' ' N ' ' A' ' 71' ' ' GLN . 4.5 mm-40 -65.17 -43.89 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -61.57 -22.58 65.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.41 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 2.0 t -79.6 -33.76 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ALA . 33.6 mt -68.64 -65.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.47 -31.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.03 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.05 -19.15 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -105.14 102.83 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -15.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -73.56 -36.88 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.02 -179.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -95.73 72.24 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.59 -73.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.8 100.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.14 140.19 1.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.75 145.38 25.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -142.66 137.7 30.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tp -120.78 101.07 7.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.67 26.96 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.69 40.16 6.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -148.06 121.19 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.24 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.89 103.3 14.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.41 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 21.9 t -100.6 128.89 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -140.87 143.12 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.75 99.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -81.93 -177.92 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.8 t -137.54 115.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -72.1 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -63.86 107.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.94 129.89 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -103.29 68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.64 107.46 18.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.39 104.25 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -115.48 98.89 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.51 -91.49 2.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -121.05 177.96 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -89.33 -53.8 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -98.16 143.69 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -73.8 -48.01 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.49 179.33 13.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -162.57 163.25 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -127.49 142.82 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.88 35.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -71.9 149.38 92.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 m -47.93 125.28 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.7 166.66 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.93 -25.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 m -61.68 145.86 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -73.2 90.3 1.58 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.71 44.76 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.4 mttp -123.09 118.48 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 29.5 m -140.0 162.52 34.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 4.5 m -155.92 118.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.722 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 24.4 t80 -110.3 129.38 55.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.36 129.69 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -120.03 155.03 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.43 43.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 mt -78.88 150.74 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 p -85.58 139.46 31.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -56.58 -13.58 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -92.66 -26.85 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -54.0 151.92 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' GLU . 25.4 mt-10 -136.54 142.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.7 tt0 -36.3 -41.2 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.1 -65.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.7 -36.02 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tt -65.31 -52.71 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.31 -45.76 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.74 -19.3 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.8 t -83.12 -44.56 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 22.0 mt -77.03 -25.27 52.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -58.18 -31.12 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -51.41 -37.13 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.62 -43.29 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.02 168.89 42.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.43 119.9 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 10.4 mt -81.52 124.66 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.87 -46.08 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -163.04 136.63 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' CG ' ' A' ' 29' ' ' GLU . 1.5 p -124.86 112.52 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -123.15 138.18 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -117.78 124.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.97 126.45 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -117.27 163.45 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.426 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.3 t-80 -57.24 137.15 81.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.75 4.3 2.27 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.377 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -117.63 -52.51 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -121.69 164.95 16.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -81.96 44.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -102.88 127.33 50.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.8 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.6 m -51.81 134.09 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -77.25 -18.09 57.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 17.03 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -161.45 168.71 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.24 156.89 19.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 74.4 m-85 -120.47 138.59 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.61 173.9 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 7.8 tt0 -142.4 143.66 32.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.51 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 10.8 m-85 -103.84 162.64 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mmt -81.67 -24.74 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.428 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.4 p -133.6 132.71 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -50.95 -36.99 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.48 -24.88 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -72.0 -51.78 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -53.38 -40.23 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.666 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -66.32 -42.86 87.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -61.09 -29.57 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.3 t -71.03 -43.9 66.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' ALA . 52.2 mt -57.37 -66.02 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.45 -32.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.69 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.95 -29.39 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t -97.11 117.18 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -13.74 60.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -95.72 7.51 46.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.22 174.77 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -59.16 124.03 18.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.44 -73.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.75 -159.15 29.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.96 148.08 16.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 9.5 mp -92.7 151.67 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -146.33 138.34 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tp -125.27 110.44 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.94 39.2 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.53 76.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -121.33 129.78 53.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -74.01 114.67 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.5 mt -83.29 134.66 34.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.83 102.62 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.5 t -98.94 127.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -143.5 142.54 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.01 -176.25 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 100' ' ' THR . 8.1 p -117.76 144.53 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.447 ' N ' HG23 ' A' ' 99' ' ' VAL . 11.2 p -117.56 128.1 54.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -101.62 107.49 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.0 119.7 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.93 84.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.42 120.61 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -129.82 114.0 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 105' ' ' ALA . 82.7 p -35.49 105.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.98 70.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -9.68 26.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m 49.93 46.77 24.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.801 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.2 t -101.95 91.02 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -53.86 -56.26 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -148.35 117.7 6.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.56 144.69 16.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -125.32 100.54 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -62.6 -46.74 86.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.72 94.02 2.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -42.21 150.38 0.39 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 95.91 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 t -159.72 168.11 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -97.28 120.22 37.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 13' ' ' THR . 11.8 p -107.31 138.81 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 12' ' ' VAL . 21.2 p -134.39 172.12 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -106.23 85.32 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.76 47.55 1.01 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 66' ' ' THR . 10.4 mttt -120.77 118.2 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 40.1 m -140.37 161.48 37.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.506 ' N ' ' CG2' ' A' ' 17' ' ' THR . 16.1 m -158.0 123.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 59' ' ' CYS . 46.0 t80 -115.6 120.72 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -94.43 134.12 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 46.1 mtm180 -120.46 151.99 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 71.93 42.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.6 mt -77.67 158.91 29.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.13 143.14 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 55' ' ' HIS . 14.1 m-85 -55.48 -37.45 67.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.3 -36.0 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -49.22 147.65 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -131.6 155.17 47.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' CG ' HG21 ' A' ' 45' ' ' VAL . 16.5 tt0 -51.1 -38.55 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -63.78 -51.98 62.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.75 -55.85 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.9 tt -43.82 -51.6 7.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.9 45.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -52.17 -16.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.2 t -84.43 -45.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 mt -75.19 -29.59 60.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -47.48 -32.08 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -84.7 -45.96 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.84 164.16 37.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.73 131.56 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.34 112.41 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -55.59 -46.29 77.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -163.96 145.33 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.422 HG21 ' CG ' ' A' ' 29' ' ' GLU . 1.6 p -132.2 115.1 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.94 131.09 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.71 112.57 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.06 143.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -117.59 158.27 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 t-80 -63.63 140.89 97.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.84 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.0 Cg_endo -69.75 -33.25 17.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -75.03 -53.02 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 54' ' ' GLU . 3.6 t -128.91 177.83 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' N ' ' OG1' ' A' ' 53' ' ' THR . 24.7 mt-10 -85.69 28.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 8.8 m170 -71.54 111.14 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -52.47 106.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -49.1 159.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.1 31.72 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 16.2 p -160.99 155.96 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.42 162.56 38.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 22.2 m-85 -119.69 139.77 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.48 168.73 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 13.3 tt0 -142.02 123.49 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 11.1 m-85 -82.85 171.51 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -97.84 -4.44 36.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.467 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 20.3 p -150.88 136.07 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -46.89 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.12 -47.52 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.549 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . . . -47.89 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.3 -51.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.548 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.6 mm-40 -60.86 -41.72 96.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -63.07 -24.61 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.88 -36.59 41.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.97 -26.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.06 -33.88 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.71 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -90.97 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 80' ' ' GLU . 2.3 pt? -50.14 -40.82 47.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 11.2 pt-20 -51.72 -41.02 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.21 19.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -58.8 113.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.27 -91.69 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.06 174.08 43.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.05 156.76 16.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp -85.62 145.03 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -146.65 134.42 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tp -120.55 109.49 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.96 39.27 13.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.78 28.87 62.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -126.71 124.79 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.717 0.294 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -71.3 106.78 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.2 mt -79.61 123.83 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -105.39 102.28 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -97.23 126.38 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 143.09 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.02 99.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.439 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -87.04 -175.62 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.1 p -145.74 140.87 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.0 m -82.69 117.46 22.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -158.91 143.21 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -41.61 126.22 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -125.5 42.15 3.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.51 94.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.37 140.48 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.064 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -113.91 163.88 14.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.96 83.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 131.93 22.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -145.69 140.16 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 111' ' ' GLY . 34.3 t -141.2 156.54 45.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 110' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -150.52 160.99 43.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -67.39 149.36 50.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.5 74.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -52.05 -50.39 61.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -56.9 -53.89 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.41 148.98 22.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -49.33 144.0 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.92 22.2 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -82.18 131.76 35.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.66 163.07 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.84 119.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -140.16 140.04 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -77.24 51.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.07 48.5 0.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 65' ' ' MET . 10.1 mttt -122.31 118.92 29.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 26.1 m -139.53 162.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.523 ' N ' ' CG2' ' A' ' 17' ' ' THR . 5.6 m -156.37 118.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.739 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 37.0 t80 -112.63 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.43 141.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.26 156.13 43.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t30 65.76 45.91 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD12 ' CA ' ' A' ' 59' ' ' CYS . 43.7 mt -78.1 157.04 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 14.9 t -101.19 142.16 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -49.34 -37.62 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 89' ' ' ASP . 4.1 t70 -61.45 -30.74 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 88' ' ' LEU . 8.5 t -54.47 155.14 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.3 mt-10 -154.56 139.89 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 28' ' ' GLU . 14.6 tt0 -34.58 -42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -55.4 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.89 -56.29 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -43.32 -51.54 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.2 -57.32 15.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -44.6 -23.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -76.46 -51.13 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.86 -33.65 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.405 ' N ' HD11 ' A' ' 42' ' ' LEU . 30.7 mt-30 -50.23 -29.25 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -51.19 -47.27 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 85.9 m-85 -66.75 -50.74 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.38 172.93 39.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.24 133.0 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 37' ' ' GLN . 22.3 mt -96.94 122.19 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.6 -46.75 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -161.22 132.15 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.51 109.46 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -121.91 135.4 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.36 114.9 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.5 131.31 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.0 mt -127.36 164.35 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -58.91 134.54 87.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.32 -45.09 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -126.14 174.74 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.42 43.92 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -94.49 129.19 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 t -65.98 108.77 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -46.3 -39.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.69 14.46 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 15.9 p -159.28 166.91 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -159.29 156.86 29.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 68.6 m-85 -120.06 134.62 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.27 168.18 19.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -138.86 136.21 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -96.34 169.93 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.446 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 11.1 mtp -93.79 -14.65 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.407 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 50.9 p -140.75 138.9 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.14 -46.08 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 9.5 tp10 -52.11 -36.02 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.526 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -59.49 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.68 -44.36 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.5 mm-40 -66.1 -41.57 90.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 56.2 mttt -64.46 -25.14 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.7 t -77.59 -34.83 53.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -67.32 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.15 -26.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . -88.14 -30.57 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -38.64 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -65.68 117.51 8.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -16.68 64.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -91.58 -33.75 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.39 142.76 53.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -44.58 141.48 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 116.8 -65.12 0.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.4 126.88 2.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.14 154.41 15.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 76' ' ' ALA . 8.1 mp -94.15 151.16 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.888 0.375 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -138.83 136.81 36.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.428 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 5.7 tp -123.07 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 4.7 m-20 61.81 32.35 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.71 40.12 27.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 11.3 mtt-85 -147.72 122.13 9.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -56.82 145.02 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.4 mt -117.41 136.79 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -115.0 107.34 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.47 129.22 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -141.09 145.12 35.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 99.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.33 -175.02 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.8 p -152.69 126.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 57.7 m -101.71 90.34 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 15.9 ttp-105 -144.74 126.12 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -68.93 134.58 49.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -110.35 46.62 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.44 39.3 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.78 -55.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 p -65.6 83.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.63 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 114.6 3.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 p -100.53 122.45 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.4 m -68.37 170.79 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -166.51 173.58 9.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -132.69 -47.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.49 86.63 0.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -164.14 158.42 19.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -113.7 90.29 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.1 169.53 3.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.65 144.37 28.52 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.1 25.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . 64.9 p -100.48 -57.89 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' SER . 1.2 m-20 -35.44 109.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.29 142.25 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -163.27 150.96 13.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.6 53.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.17 45.95 1.27 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 65' ' ' MET . 10.4 mttt -120.71 118.69 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 24.1 m -139.87 160.97 38.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.173 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.504 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.7 m -156.58 118.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.8 t80 -111.44 125.36 53.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.48 138.62 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 14.2 mtp180 -124.05 156.94 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 t30 68.11 40.81 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 mt -75.16 146.86 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -86.01 142.47 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 55' ' ' HIS . 3.9 t80 -50.18 -35.2 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -68.51 -36.39 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' ASP . 15.6 p -35.1 147.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' GLU . 46.0 mt-10 -141.77 135.17 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLU . 24.0 tt0 -36.78 -44.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.18 -60.71 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.09 -56.73 18.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.5 tt -41.36 -50.91 3.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.33 -55.91 24.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -47.33 -22.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -79.14 -37.88 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 mt -85.86 -24.04 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -59.02 -30.96 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 1.9 pt20 -48.89 -47.33 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 82.7 m-85 -69.25 -54.68 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.67 169.69 33.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.44 121.09 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 118.21 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -60.9 -38.86 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -166.74 132.35 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 p -119.15 115.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -133.87 129.81 36.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.77 124.01 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.8 p -60.73 115.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mt -105.59 163.64 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.422 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.0 t-80 -57.71 133.07 82.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.545 0.688 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.9 Cg_endo -69.79 5.32 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.03 -47.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 t -121.0 154.59 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -80.1 62.38 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 19.9 m-70 -131.09 140.39 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -49.93 156.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -102.66 -47.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.99 -17.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 13.4 m -145.09 168.57 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.75 161.83 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -124.17 137.88 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.34 170.11 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -138.27 148.24 44.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 14.0 m-85 -108.77 171.84 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.447 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 10.4 mtp -96.29 -14.17 22.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -138.93 140.0 38.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.5 -47.56 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -52.96 -37.97 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.525 ' HB3' ' CG ' ' A' ' 64' ' ' PHE . . . -52.39 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.43 -50.4 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.635 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -57.87 -48.52 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -56.56 -27.19 57.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.8 t -78.34 -35.23 47.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.36 -62.31 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.04 -29.38 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 -38.4 22.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -34.74 74.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t -78.96 101.08 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.47 ' HA ' ' N ' ' A' ' 85' ' ' GLY . 2.4 pt? -47.29 -38.35 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 3.5 tp10 -55.74 -55.04 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -50.21 130.06 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 81' ' ' ALA . 5.4 mt-10 33.68 42.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLU . . . 35.29 57.53 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -153.18 111.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.47 ' N ' ' HA ' ' A' ' 79' ' ' LEU . . . -129.8 147.62 18.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 86' ' ' LEU . 10.7 mp -85.57 144.98 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -141.07 129.7 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -115.11 99.77 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.67 33.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.23 20.17 63.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -120.32 126.0 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 111.68 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.9 mt -80.46 111.97 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -92.55 105.15 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.6 t -101.24 127.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.64 144.84 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 99.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.46 179.84 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.39 126.57 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -101.19 91.86 4.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -146.66 144.61 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -116.5 126.79 53.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.31 51.86 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.03 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.95 -50.96 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.3 t -143.7 140.24 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.61 -70.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.24 6.61 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 m -121.74 134.06 54.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.3 t -43.22 -58.34 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 45.39 40.13 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.385 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m -120.21 115.77 24.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.12 41.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -49.79 100.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -84.32 162.37 20.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.17 172.67 23.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.17 137.7 95.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 154.88 67.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.6 m -119.78 -57.27 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -46.1 106.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.47 -49.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -45.96 159.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -59.77 99.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.42 32.81 4.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.6 mttp -118.3 118.33 31.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 21.7 m -140.0 161.24 38.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.6 m -152.84 119.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.507 ' CE2' ' HG3' ' A' ' 21' ' ' ARG . 48.2 t80 -112.74 124.98 53.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.6 134.39 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.507 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 37.3 mtp180 -118.46 149.28 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 t30 72.17 49.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 38.9 mt -82.55 150.74 26.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -90.47 139.72 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.19 -41.27 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.57 -30.15 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 p -45.63 152.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.1 mt-10 -139.37 136.51 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CG ' HG21 ' A' ' 45' ' ' VAL . 17.6 tt0 -37.22 -44.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.57 -57.67 11.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.78 -51.95 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.9 tt -45.19 -54.8 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.63 90.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -51.35 -22.12 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.2 t -80.62 -51.39 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.31 -22.82 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -56.63 -23.79 43.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 5.7 pt20 -65.69 -32.22 73.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 68.1 m-85 -94.08 22.58 5.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.68 155.51 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.74 141.47 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.53 129.99 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -72.67 -50.07 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -151.98 135.57 16.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG21 ' CG ' ' A' ' 29' ' ' GLU . 1.6 p -124.68 109.38 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -124.16 135.33 53.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.86 110.89 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 49' ' ' LEU . 6.3 p -60.67 136.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 48' ' ' VAL . 15.1 mt -98.96 164.81 12.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.449 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -56.64 138.86 76.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.886 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.4 Cg_endo -69.83 3.27 2.9 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -132.95 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -86.61 170.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -102.8 37.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -99.1 -175.48 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.2 t -95.77 110.39 22.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -59.23 159.12 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.48 36.63 2.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 p -161.74 147.66 13.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -152.76 159.74 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 57.7 m-85 -121.89 135.26 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' C ' HG22 ' A' ' 18' ' ' VAL . . . -134.4 177.86 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.1 tt0 -148.51 139.85 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 13.9 m-85 -101.2 171.99 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 mmt -82.5 -33.81 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 27.0 p -132.6 143.11 49.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 93.9 mt-30 -47.45 -52.27 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -46.07 -41.76 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -53.8 -60.83 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.529 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -45.77 -35.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.587 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.8 mm-40 -68.52 -40.36 80.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -64.33 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.4 t -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 48.8 mt -68.58 -68.48 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -74.38 -31.84 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.21 -33.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 104.27 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 79' ' ' LEU . 2.5 pt? -57.78 -27.0 62.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.57 -50.52 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -45.04 165.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.12 45.02 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.12 -57.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.45 -172.96 30.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.94 141.9 13.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.0 145.97 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -141.25 128.93 21.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 tp -116.05 131.94 56.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 48.6 29.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.04 34.71 32.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -138.7 129.23 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.06 139.91 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.6 mt -113.36 132.81 55.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -109.83 105.32 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 27.8 t -97.53 131.41 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 23.3 t0 -145.43 142.55 29.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.6 99.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -80.82 176.92 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 p -159.44 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.6 m -56.21 119.63 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 115.95 21.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.96 97.97 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.62 83.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -162.97 167.12 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.52 138.91 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -111.88 92.42 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.48 83.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 127.41 14.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -59.96 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.4 t -94.46 134.48 36.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -141.98 140.48 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -129.81 106.5 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.88 76.82 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -121.51 102.9 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -167.46 112.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.91 85.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 1.7 pp -69.07 147.17 97.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.0 66.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 m -86.56 134.99 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -172.0 144.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m -80.37 125.95 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -167.66 143.5 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.57 92.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -123.4 43.46 1.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.8 mttp -121.26 118.37 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 37.2 m -140.15 162.74 34.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 8.6 m -158.12 118.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.2 t80 -111.74 124.8 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.0 mp -98.95 134.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -120.09 150.79 40.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.76 53.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD12 ' CA ' ' A' ' 59' ' ' CYS . 62.9 mt -94.52 151.93 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 145.19 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.35 -40.07 70.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 27' ' ' SER . 2.3 p30 -60.05 -37.47 79.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 41.4 t -47.61 139.16 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' GLU . 16.4 mt-10 -120.73 141.89 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLU . 10.1 tt0 -37.17 -33.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.6 mt-10 -72.82 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.56 -32.53 12.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.6 -51.81 25.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.98 94.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -53.58 -23.98 12.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -78.81 -40.6 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.67 -28.47 45.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' HD12 ' A' ' 42' ' ' LEU . 24.6 mt-30 -57.73 -37.51 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -44.24 -33.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -80.54 -53.55 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.55 162.38 34.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.2 131.19 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 37' ' ' GLN . 6.6 mt -95.47 130.1 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -72.54 -43.85 62.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -163.81 146.27 9.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.19 107.62 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -119.77 134.59 55.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.22 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.11 129.36 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -111.36 161.2 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 t-80 -58.32 141.46 82.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.8 Cg_endo -69.69 -39.8 6.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.8 -54.3 9.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' HIS . 13.2 t -123.23 178.9 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.49 47.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' SER . 8.9 m170 -104.31 101.83 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' HIS . 15.1 m -35.8 108.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -39.91 -34.2 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.48 18.75 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 29.1 p -157.4 162.42 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.07 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 56.7 m-85 -114.62 136.58 52.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -132.54 174.36 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -145.45 137.18 25.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 m-85 -98.49 164.68 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.2 mtp -85.26 -20.5 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.441 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 39.0 p -140.45 132.24 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -43.54 -51.79 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.81 -40.58 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.569 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -57.11 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.65 -45.99 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.698 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -61.56 -46.56 89.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.56 -24.69 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 2.3 t -79.29 -31.42 43.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 28.2 mt -75.17 -63.25 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.79 -36.18 18.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.71 80.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -61.1 113.58 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.12 -10.43 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 81' ' ' ALA . 4.6 mm-40 -86.91 -55.27 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 80' ' ' GLU . . . -32.98 144.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -49.72 102.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.55 -93.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.21 -168.29 34.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.53 162.43 24.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.35 146.81 26.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -146.76 141.47 26.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.36 98.68 6.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 70.07 49.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.12 32.92 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -132.67 120.39 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -71.47 117.52 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.5 mt -88.8 124.61 34.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -101.02 102.34 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.448 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 21.6 t -96.89 128.71 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -143.21 143.37 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.76 99.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -85.8 -177.16 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.0 p -162.99 141.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.4 m -81.26 -62.75 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 101' ' ' ARG . 18.2 ttp-105 -65.84 146.78 54.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -95.9 43.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 57.48 41.79 25.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.34 112.21 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -122.74 124.12 42.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.4 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 139.57 40.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.62 2.213 . . . . 0.0 112.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.8 p -168.66 116.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -41.38 143.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m 47.15 43.07 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -166.54 134.16 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.5 102.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -84.5 146.77 27.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 0.0 110.828 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -130.71 -50.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 69.92 1.2 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -41.35 153.04 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 10' ' ' SER . 54.1 Cg_endo -69.77 3.41 2.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.8 t -32.78 108.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.77 165.77 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 8.2 p -125.4 42.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -149.33 136.98 20.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -128.83 49.22 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.26 48.93 1.72 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 6.1 mttp -125.87 118.36 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 53.7 m -140.07 163.51 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' N ' ' CG2' ' A' ' 17' ' ' THR . 6.8 m -158.09 118.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.9 t80 -111.14 121.85 46.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -95.58 138.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -125.71 157.95 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 t30 64.46 49.27 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -87.87 149.64 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 5.3 t -89.59 128.3 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -55.4 -41.37 72.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' SER . 41.2 t -39.43 157.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.2 mt-10 -145.94 136.29 23.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLU . 20.1 tt0 -34.97 -42.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.89 -60.39 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.15 -52.6 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.4 tt -49.41 -50.32 41.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.64 -56.43 24.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -51.95 -16.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 mt -94.1 -39.08 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' C ' ' CD ' ' A' ' 37' ' ' GLN . 4.3 pp0? -50.25 -18.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -57.52 -44.93 85.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.433 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.7 m-85 -75.26 -24.85 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.25 141.01 4.07 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -46.69 118.86 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.31 141.05 43.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -86.2 -44.66 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -158.65 124.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -116.82 117.9 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -129.62 136.89 50.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.1 p -119.31 117.44 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 49' ' ' LEU . 2.7 p -62.42 133.35 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 48' ' ' VAL . 8.9 mt -126.36 163.15 23.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 3.2 t-80 -57.12 140.86 77.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.3 Cg_endo -69.78 -28.19 25.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -103.64 -28.67 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' HIS . 1.2 p -116.91 175.57 5.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -99.58 19.43 15.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -79.62 173.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -120.49 149.6 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -87.19 41.73 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.29 31.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 73.0 m -153.39 153.13 31.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.03 153.13 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 33.5 m-85 -117.58 132.53 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.95 174.18 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -139.9 146.8 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 69' ' ' ALA . 15.3 m-85 -105.93 171.05 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 mmt -85.84 -32.19 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.423 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 40.1 p -130.19 145.62 51.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.08 -50.1 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -51.57 -38.31 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.569 ' HB2' ' CD2' ' A' ' 64' ' ' PHE . . . -51.86 -58.51 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.43 -52.94 51.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.625 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -55.26 -39.86 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.7 t -74.36 -38.93 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' ALA . 68.0 mt -59.37 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.31 -27.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.75 -27.76 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.57 -33.94 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.92 114.1 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -55.62 -36.92 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.91 -46.46 90.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.17 144.14 16.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.05 138.37 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.27 -65.45 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.4 -168.49 30.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.6 155.14 17.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.57 149.23 25.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -144.22 127.5 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -119.43 101.29 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t0 73.12 41.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.41 37.35 79.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -142.5 120.81 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -62.26 123.65 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.48 123.88 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -104.56 103.29 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.6 t -103.96 127.0 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -138.59 145.04 40.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.07 100.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.484 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -84.87 -175.3 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t -143.51 127.44 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.6 m -87.44 115.32 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.55 172.36 17.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.89 108.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -87.12 50.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.97 90.2 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.12 88.34 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -96.28 137.17 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 42.36 80.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 140.53 43.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.2 m -134.07 -47.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 85.34 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -174.5 160.62 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -169.21 166.35 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.85 91.02 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -105.78 100.5 10.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -140.69 137.89 33.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 128.27 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -90.52 152.92 45.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -15.88 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -46.25 168.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -110.51 121.64 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.87 104.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 p -125.18 142.8 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.09 88.24 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . -142.72 46.39 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 5.0 mttp -119.45 117.9 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 HG22 ' CB ' ' A' ' 98' ' ' ALA . 55.0 m -140.37 152.78 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' VAL . 8.3 m -148.61 118.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 21' ' ' ARG . 40.9 t80 -110.36 125.93 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -100.18 137.3 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.0 mtt180 -123.96 169.92 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.4 t30 54.82 42.92 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 mt -77.38 155.58 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.4 p -98.42 132.71 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.06 -31.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.85 -37.92 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 t -45.91 162.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.29 165.24 30.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.99 -35.77 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.15 -56.87 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.76 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -42.83 -54.12 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.22 -54.59 35.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -46.1 -21.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.3 t -79.05 -43.99 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 32.5 mt -76.26 -37.49 57.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' GLN . 53.4 mt-30 -46.19 -42.32 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pt20 -37.99 -39.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 81.9 m-85 -80.11 -48.29 13.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.5 152.06 21.55 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -48.89 128.85 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 15.1 mt -89.83 114.52 26.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -55.26 -41.66 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -164.19 146.72 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.46 112.16 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -126.22 132.17 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.6 110.29 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.65 128.63 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.67 163.63 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 6.6 t-80 -69.54 140.94 90.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.8 Cg_endo -69.77 -42.81 3.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.333 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.87 -52.88 54.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.405 HG21 ' CD2' ' A' ' 55' ' ' HIS . 14.0 t -130.18 171.21 13.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -83.59 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' CD2' HG21 ' A' ' 53' ' ' THR . 4.0 m170 -107.96 123.12 48.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -65.64 133.41 51.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' GLY . 43.6 mttt -80.55 42.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . 37.01 36.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 29.3 p -161.43 152.38 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.88 155.74 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 27.6 m-85 -119.16 134.93 54.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -134.68 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.5 tt0 -144.56 131.94 20.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 10.6 m-85 -90.03 169.88 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.51 -24.5 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.473 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 17.8 p -140.97 145.86 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 7.8 mm-40 -51.5 -49.75 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -46.45 -42.53 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 64' ' ' PHE . . . -55.03 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -42.27 -45.0 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.73 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -64.68 -40.98 96.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -64.42 -25.83 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.3 t -79.17 -37.22 38.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 96' ' ' ASP . 96.0 mt -62.1 -60.29 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.06 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -76.95 -31.28 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.59 -37.0 57.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -76.53 101.58 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -47.35 -21.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.73 -53.34 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -58.57 133.66 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.2 mt-10 33.7 41.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 82' ' ' GLU . . . 35.66 47.38 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.49 128.17 4.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.98 152.05 21.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 86' ' ' LEU . 10.8 mp -88.84 149.49 23.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -147.51 144.55 28.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -135.57 110.9 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.62 29.89 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.76 26.27 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -127.2 120.95 29.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.94 107.15 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.95 132.46 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.68 102.44 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.55 129.83 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.472 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.0 t70 -144.84 143.63 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.94 -177.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.73 129.62 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 t -49.92 135.38 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.61 125.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -79.59 114.93 18.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -108.72 91.18 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -129.33 92.39 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.24 160.25 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -163.77 134.1 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.12 80.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.98 4.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -118.62 155.08 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.4 m -119.13 177.7 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -161.34 156.72 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -147.56 115.23 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.77 -122.17 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -148.94 143.99 26.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -167.63 130.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.04 149.33 8.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -46.4 149.32 1.39 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.72 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.46 9.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t -119.32 47.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.08 39.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 13' ' ' THR . 28.8 m -77.92 -43.42 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 12' ' ' VAL . 11.6 t -84.81 161.85 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -91.75 88.87 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.64 43.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.7 mttp -123.59 118.82 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 32.4 m -139.69 162.61 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' N ' ' CG2' ' A' ' 17' ' ' THR . 4.7 m -156.08 118.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.9 t80 -111.22 128.08 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.73 132.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.515 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.4 mtp85 -119.54 150.1 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 70.98 47.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD11 ' CA ' ' A' ' 59' ' ' CYS . 51.2 mt -78.98 148.55 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 t -81.89 144.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.81 -15.98 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.49 -19.01 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.422 ' OG ' ' CD2' ' A' ' 88' ' ' LEU . 67.0 m -51.83 155.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.53 159.19 44.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.97 -35.91 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.95 -52.1 47.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -56.54 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.3 tt -40.78 -53.73 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.23 -47.52 90.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.88 -14.46 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.18 -27.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 mt -97.54 -22.14 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 42' ' ' LEU . 22.1 mt-30 -61.04 -36.31 79.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.73 -37.58 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -74.96 -49.09 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.16 174.58 42.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.19 127.94 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 37' ' ' GLN . 14.0 mt -93.41 105.02 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -47.58 -49.62 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -159.05 136.31 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.61 104.81 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -117.12 134.07 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.71 110.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -60.47 121.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mt -118.47 164.6 15.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.449 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 5.4 t-80 -56.36 139.22 74.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.551 0.691 . . . . 0.0 110.9 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.449 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.77 2.53 3.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -124.11 -60.79 1.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.2 t -106.79 168.22 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -92.7 48.81 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' LYS . 9.4 m170 -98.73 115.32 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' GLY . 50.3 m -43.25 95.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 3.3 ttmm -37.11 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 120.24 4.64 11.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 6.7 m -154.35 163.38 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -153.62 166.69 31.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 23.1 m-85 -127.33 137.3 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.451 ' CB ' ' CG2' ' A' ' 18' ' ' VAL . . . -134.06 169.49 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -145.08 126.17 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.552 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 19.9 m-85 -87.64 171.67 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -94.03 -22.51 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.424 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.0 p -132.87 133.06 42.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.88 -51.51 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -49.68 -37.79 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.27 -63.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.38 -48.56 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -61.14 -42.39 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -62.17 -21.86 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.465 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 3.5 t -82.34 -32.75 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.4 mt -69.49 -66.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.67 -32.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.21 -36.26 27.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.27 -22.49 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -79.14 108.07 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.574 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.49 -19.23 61.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.452 ' N ' HD23 ' A' ' 79' ' ' LEU . 25.4 tt0 -70.07 -47.16 63.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 168.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.85 161.38 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.03 -54.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.81 134.44 4.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.52 175.63 11.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp -97.87 148.17 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -139.73 135.54 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 1.7 tp -116.47 104.7 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 64.21 30.26 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.76 17.99 57.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -122.36 117.73 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -59.93 130.5 47.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 mt -104.14 133.86 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -110.63 104.89 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.465 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 35.6 t -97.62 126.73 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -139.96 142.56 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -84.47 -176.21 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 100' ' ' THR . 12.0 p -162.37 142.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 99' ' ' VAL . 81.2 p -75.7 109.53 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -110.09 85.76 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -56.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -60.07 86.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.35 168.67 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.5 164.55 25.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -130.89 43.0 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 41.99 -153.94 0.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 179.91 3.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -170.22 132.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.8 m -54.08 134.44 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -82.81 144.07 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.858 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -105.62 -51.33 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.41 179.63 47.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 57.16 45.82 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -80.22 -40.9 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.96 7.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -100.2 151.69 37.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.724 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -106.3 100.09 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.72 96.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 p -91.3 36.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p -107.76 115.29 29.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -117.27 82.6 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.55 46.1 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -122.24 118.41 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 35.0 m -139.95 162.76 34.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 17' ' ' THR . 4.7 m -158.17 118.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.2 t80 -112.91 125.22 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mp -95.91 140.08 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.9 mtp85 -123.27 152.28 41.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t30 69.04 45.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.94 156.89 38.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -100.74 139.07 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -51.8 -28.61 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -72.32 -33.92 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.1 m -49.1 156.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -149.36 140.15 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CG ' HG23 ' A' ' 45' ' ' VAL . 14.5 tt0 -38.34 -40.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.21 81.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.04 -56.97 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.3 tt -40.07 -56.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.89 -44.51 98.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.37 -17.57 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.2 t -89.75 -40.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.3 mt -84.45 -9.84 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -71.8 -32.69 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 3.8 pt20 -49.61 -51.08 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 59.2 m-85 -57.75 -57.29 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.76 -174.72 23.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.21 120.94 22.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.52 131.78 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -81.48 -51.7 8.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.2 p90 -154.56 127.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 29' ' ' GLU . 1.7 p -116.29 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -122.06 133.19 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -119.33 113.29 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.41 134.98 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -119.09 164.01 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 8.0 t-80 -59.14 139.53 87.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.81 -43.32 2.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -107.44 171.13 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.84 52.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -109.06 163.42 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 t -73.4 120.39 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -40.69 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.55 4.07 4.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 22.1 p -159.04 170.51 21.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.52 159.49 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 47.0 m-85 -122.81 132.37 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -132.69 169.39 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -138.18 140.38 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 12.8 m-85 -98.67 171.91 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 mmt -94.91 -12.2 27.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -144.9 142.01 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.82 -49.07 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -51.5 -42.76 61.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.516 ' HB3' ' CG ' ' A' ' 64' ' ' PHE . . . -50.28 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.78 -55.57 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.1 mm-40 -53.55 -43.99 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -61.53 -26.18 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.461 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 1.7 t -79.74 -27.08 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 77' ' ' ALA . 25.4 mt -75.25 -67.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.61 -34.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.12 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.11 -38.3 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -69.58 103.31 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.34 -14.3 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.29 -37.09 22.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -68.1 142.28 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 81' ' ' ALA . 14.7 pt-20 32.36 36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' ALA . . . 38.78 64.61 0.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.16 125.97 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -133.94 156.86 22.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -93.11 153.78 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -146.87 127.78 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 5.9 tp -117.26 120.9 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.6 26.15 15.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.91 32.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -139.37 129.22 24.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -58.87 140.58 55.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 33.7 mt -112.51 116.8 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -98.7 105.3 17.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.461 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 58.7 t -101.44 128.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.98 144.89 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 100.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -86.61 -176.55 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.0 t -153.37 145.74 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.5 m -77.69 80.95 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -143.33 176.03 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.81 88.56 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' ALA . 15.5 mm-40 -52.48 -48.07 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -35.52 127.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -109.84 -57.26 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 105' ' ' ALA . 32.5 t -36.68 -60.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.57 176.03 14.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -3.85 12.85 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.5 t -53.73 -59.98 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -45.82 -51.54 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -134.26 142.62 47.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -168.64 168.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.35 143.18 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 54.1 p -119.76 153.11 36.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 14.9 m -36.66 104.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.18 150.52 11.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 pp -100.55 145.61 30.6 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 150.74 68.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -168.17 124.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -112.31 100.49 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.6 t -70.04 -43.43 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.8 m -106.68 117.78 34.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -99.97 85.88 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.81 49.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.0 mttp -124.34 118.97 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.517 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 34.1 m -139.47 162.62 34.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' N ' ' CG2' ' A' ' 17' ' ' THR . 5.9 m -157.24 118.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 3.0 t80 -111.48 124.72 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.69 130.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ASN . 7.8 ttp180 -107.31 -176.19 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 35.1 t30 34.12 54.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 60' ' ' ALA . 15.2 mt -82.28 149.05 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.78 143.67 39.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -67.41 -15.82 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.22 -17.11 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -56.77 151.22 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -134.37 141.95 47.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 11.6 tt0 -38.9 -41.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.91 -59.6 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.88 -54.59 44.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.8 tt -45.03 -49.33 11.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.12 -48.7 67.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.5 -18.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.01 -45.97 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -77.5 -19.26 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.74 -38.25 84.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -41.84 -44.61 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -71.09 -58.68 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.24 169.17 31.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.52 117.44 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.52 122.82 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -65.69 -48.66 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.2 p90 -155.73 136.6 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 1.6 p -123.96 115.88 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -128.57 134.95 48.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.84 110.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 p -62.29 146.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.9 mt -122.12 162.0 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.9 t-80 -57.23 141.26 77.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.825 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.2 Cg_endo -69.7 -39.95 6.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.37 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -92.21 -176.35 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -112.11 36.21 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -96.89 172.06 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -83.41 105.06 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -42.16 -29.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.81 24.92 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.42 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -161.84 143.3 11.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' HD11 ' A' ' 23' ' ' LEU . . . -142.73 143.08 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -101.77 138.36 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.75 168.76 19.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.8 tt0 -141.29 141.14 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 69' ' ' ALA . 15.3 m-85 -101.8 172.01 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mmt -88.81 -28.2 20.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.427 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 22.4 p -131.31 145.48 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -53.33 -50.24 65.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.75 -38.66 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . . . -53.58 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.666 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -57.78 -45.3 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -58.46 -27.5 64.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.444 ' SG ' ' CG1' ' A' ' 95' ' ' VAL . 9.7 t -76.25 -33.18 59.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.2 mt -68.02 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.68 -28.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.97 -35.07 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 -28.62 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -71.4 107.7 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -63.06 -10.72 15.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -84.35 -47.29 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.14 149.22 12.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -57.44 144.88 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 112.2 -52.99 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.68 153.93 7.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.14 163.75 28.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.03 138.63 31.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -134.44 141.37 46.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tp -124.55 109.8 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.98 28.28 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.01 26.57 31.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -124.63 129.63 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -76.14 106.27 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.23 128.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -107.34 103.64 13.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.444 ' CG1' ' SG ' ' A' ' 73' ' ' CYS . 45.3 t -97.39 122.95 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.91 144.64 41.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.93 100.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -84.39 -175.63 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.78 136.51 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.5 m -76.08 105.87 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -168.42 140.42 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 6.7 m-20 -41.3 118.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -91.08 81.27 5.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.48 134.28 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.09 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -111.78 80.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.34 89.9 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 88.32 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t -151.58 161.24 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.8 m -132.93 172.5 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -152.7 132.77 13.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -124.3 164.91 18.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.37 66.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -172.91 155.21 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -112.57 112.83 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.87 157.67 9.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.1 152.23 84.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -11.31 30.49 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m 52.09 46.65 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.55 44.91 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.95 -7.77 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -100.23 126.64 46.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -119.51 48.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.7 46.06 1.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 66' ' ' THR . 11.2 mttt -122.42 118.63 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 37.9 m -139.74 162.85 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.523 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.3 m -158.3 119.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 40.3 t80 -113.06 123.91 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -95.89 132.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -119.57 148.48 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 72.03 51.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD13 ' CA ' ' A' ' 59' ' ' CYS . 66.0 mt -79.23 164.97 23.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.42 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 2.9 t -103.72 143.08 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -50.54 -39.05 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -36.33 84.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 p -41.67 147.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ALA . 17.2 mt-10 -145.66 135.39 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 tt0 -35.26 -41.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -62.72 -47.91 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . -70.95 -55.93 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tt -39.25 -51.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.49 -56.55 23.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -43.09 -25.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 t -77.56 -50.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.1 mt -75.67 -16.51 60.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.04 -19.54 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.5 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -66.98 -56.1 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.18 175.04 34.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.89 122.81 17.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.352 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 mt -82.36 114.56 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -59.71 -47.07 87.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -160.91 140.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -127.9 112.66 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -128.89 129.72 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.47 124.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' CG2' ' HG3' ' A' ' 57' ' ' LYS . 7.5 p -67.16 119.07 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 mt -118.13 140.57 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 53.3 t-80 -56.0 139.45 71.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.71 -176.77 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 38.31 25.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' PRO . 12.9 t -177.15 179.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 54' ' ' GLU . 10.2 tm-20 -117.56 39.04 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -87.73 150.8 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' LYS . 25.9 t -98.27 103.51 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' SER . 28.2 mmtt -34.07 -44.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.56 13.14 2.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.44 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.2 p -157.81 165.31 35.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' N ' HD11 ' A' ' 23' ' ' LEU . . . -157.59 153.34 26.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.4 m-85 -116.29 135.8 53.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.67 168.83 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -136.52 137.19 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 9.8 m-85 -94.46 170.79 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.04 -6.57 38.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.421 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 25.0 p -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -53.11 -47.58 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.11 -37.61 64.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -57.28 -61.73 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -44.78 -52.05 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.575 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -57.38 -45.34 84.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.75 -26.19 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.4 t -78.16 -30.93 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.9 mt -71.06 -67.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.54 -30.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.71 -34.53 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -70.11 -27.79 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -70.19 107.02 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -55.59 -27.92 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -43.14 95.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -51.34 131.25 28.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ALA . 30.0 mt-10 -36.48 101.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.01 81.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -148.63 -35.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' GLY . . . -34.46 135.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.87 144.14 25.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -138.35 133.7 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.9 tp -115.6 100.83 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.5 27.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.29 18.87 54.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.42 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 30.4 mmt-85 -117.83 116.68 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -61.23 118.85 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.02 136.4 35.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -114.86 102.98 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 44.5 t -97.12 123.9 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -136.74 144.01 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.88 100.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.39 174.45 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.58 133.18 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.2 t -56.69 -47.63 79.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -58.92 104.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -105.26 132.78 51.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -98.19 43.09 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.38 101.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.63 134.24 33.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 t -52.63 145.33 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.36 -148.22 19.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.58 17.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.3 m -106.56 -51.77 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.7 m -60.33 151.94 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -72.39 82.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -152.31 153.68 34.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.53 75.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -110.67 135.41 51.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 p -109.32 151.22 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.64 94.09 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -110.23 145.34 31.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.1 Cg_endo -69.75 149.88 67.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 83.8 p -35.5 128.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.6 142.16 58.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.31 -53.8 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 p -46.86 148.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HG2' ' NE2' ' A' ' 63' ' ' GLN . 10.7 tt0 -94.6 49.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . -84.79 45.87 3.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 65' ' ' MET . 9.9 mttt -119.32 118.32 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.529 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 33.7 m -140.1 162.92 34.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.529 ' N ' ' CG2' ' A' ' 17' ' ' THR . 8.1 m -156.59 128.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 59' ' ' CYS . 62.0 t80 -120.2 119.55 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.432 HG21 ' CD2' ' A' ' 23' ' ' LEU . 1.7 mp -97.0 132.82 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.15 173.79 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 t30 48.38 54.98 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 60' ' ' ALA . 18.9 mt -86.18 143.13 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.4 t -78.21 142.12 38.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.2 -17.15 57.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.88 -15.51 29.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.2 m -63.32 155.34 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -133.41 169.73 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.05 -35.8 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.9 -44.76 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.76 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.4 tt -50.62 -53.32 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.44 -49.9 72.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -50.23 -20.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 45.3 t -86.3 -37.26 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 39.6 mt -90.03 -1.13 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -81.03 -39.11 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.2 pt20 -41.41 -45.95 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -63.82 -58.46 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.25 -166.57 13.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -84.88 119.03 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -82.05 126.5 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -71.63 -58.54 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.1 p90 -148.43 129.91 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 p -116.46 113.26 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.3 138.59 52.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.01 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 49' ' ' LEU . 6.8 p -62.72 139.81 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 48' ' ' VAL . 86.2 mt -103.63 162.0 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 8.2 t-80 -58.82 140.56 86.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.7 -45.14 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -69.77 -58.69 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -108.72 173.9 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.88 47.94 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -94.68 169.18 10.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.3 m -86.43 92.26 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -38.73 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . -83.86 28.68 3.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.8 m -156.53 157.54 35.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' N ' HD12 ' A' ' 23' ' ' LEU . . . -153.29 162.87 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 79.3 m-85 -122.58 142.36 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -142.11 171.02 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.403 ' NE2' ' HG2' ' A' ' 14' ' ' GLU . 20.3 tt0 -142.23 133.75 26.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 m-85 -96.79 164.49 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.45 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 3.8 mmt -87.27 -16.8 34.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.429 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 22.1 p -138.03 144.66 41.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 6.5 mm-40 -60.53 -43.83 96.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.73 -30.24 65.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . . . -62.47 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.71 -47.63 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.603 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -60.55 -38.04 83.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.96 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.99 -41.75 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 86.0 mt -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.14 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -27.9 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.91 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -85.93 120.2 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -8.93 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -83.95 -32.11 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.77 162.55 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.34 143.96 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.74 -62.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 178.42 17.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.442 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.65 154.56 16.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp -93.02 142.58 27.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -139.64 127.4 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 6.5 tp -106.79 98.58 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.26 38.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.02 9.47 87.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -110.87 118.23 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.67 123.53 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 23.9 mt -97.0 129.23 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.91 102.16 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.44 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.7 t -96.71 126.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -140.98 141.83 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.32 99.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.65 150.14 32.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -100.22 -175.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 p -60.11 92.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -93.53 -38.31 11.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.72 94.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.64 93.63 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.66 153.0 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.13 145.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -155.04 113.56 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.83 148.97 5.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 102.7 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 m -86.36 102.07 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.0 p -56.99 101.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -157.05 135.35 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -150.29 158.0 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.49 -125.4 1.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -146.14 115.2 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -72.34 103.88 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.03 84.82 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.48 143.01 25.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.5 Cg_endo -69.79 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.27 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' PRO . 6.9 m -35.62 145.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.52 175.05 7.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.73 -38.38 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 m -95.88 111.29 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.16 80.95 5.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.98 39.93 1.75 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.424 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.2 mttp -121.0 118.61 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.52 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 25.0 m -139.98 162.41 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.1 m -154.54 120.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.705 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -112.83 118.77 35.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mp -95.41 132.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -118.59 161.95 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 64.04 48.81 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.3 mt -85.68 147.53 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -86.93 143.06 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -52.16 -26.06 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -75.16 -32.89 61.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.3 t -48.47 159.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -148.97 175.57 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -72.52 -35.5 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.79 -48.57 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.16 -50.4 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.3 tt -48.24 -59.33 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.25 -48.09 82.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.537 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -52.74 -20.07 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 80.3 t -81.26 -46.73 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD2' ' SG ' ' A' ' 73' ' ' CYS . 80.1 mt -74.82 -27.29 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.82 -32.07 51.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 3.0 pt20 -53.12 -39.67 63.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -73.51 -39.95 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.37 157.7 21.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.541 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.37 144.21 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 mt -110.8 111.48 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -57.61 -54.69 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -152.1 130.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.95 111.9 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -123.75 131.19 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.79 120.61 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 p -59.36 135.14 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.3 mt -112.92 163.43 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.9 t-80 -56.68 141.1 74.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.74 -44.09 2.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.52 -55.29 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -100.86 -174.62 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -122.08 58.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -112.03 -76.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 m -175.97 145.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -84.08 -51.97 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.71 -19.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 19' ' ' PHE . 3.9 m -132.97 174.3 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.09 153.81 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 20.8 m-85 -119.31 135.19 54.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -135.21 167.43 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -135.74 143.71 45.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 9.4 m-85 -105.41 171.89 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.0 mmt -95.39 -21.38 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.426 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.6 p -137.6 130.08 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.83 -53.97 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -48.5 -35.84 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.57 ' HB2' ' CD1' ' A' ' 64' ' ' PHE . . . -55.1 -64.3 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.65 -46.59 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.539 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.4 mm-40 -60.38 -41.77 94.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -61.85 -25.04 67.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 5.2 t -79.94 -35.18 38.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.3 mt -68.42 -65.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.34 -27.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.87 -31.45 17.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.07 -28.56 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -91.2 110.95 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.549 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.62 -23.99 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.495 ' N ' ' CD1' ' A' ' 79' ' ' LEU . 5.1 pt-20 -78.73 -37.38 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.05 157.55 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.4 82.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.45 -70.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.56 -167.54 40.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.58 117.3 1.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.7 138.37 32.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -142.39 138.59 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 tp -115.13 101.3 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 73.26 25.31 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.48 34.19 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.31 129.59 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -73.98 107.86 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.93 125.48 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -97.9 102.23 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.8 t -99.47 123.65 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.29 144.68 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 99.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -78.22 163.81 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -126.47 106.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.8 m -55.7 103.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.3 170.67 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.07 91.82 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.33 92.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.34 102.03 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.57 173.89 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.3 p -86.1 152.05 23.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.52 83.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.29 37.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' SER . 39.4 t -77.13 -54.64 6.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.1 p 36.05 42.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 58.3 43.84 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -118.44 143.63 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.22 160.11 23.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -139.69 164.12 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -158.29 176.65 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.46 -39.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -90.44 150.21 42.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 113.31 3.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.23 . . . . 0.0 112.296 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -80.7 174.93 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -174.39 154.63 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.4 t -41.67 111.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 10.5 m -155.45 128.8 8.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -55.46 84.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' THR . . . -143.21 46.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 3.6 mttp -122.28 118.52 28.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.52 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 44.2 m -140.03 162.98 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' N ' ' CG2' ' A' ' 17' ' ' THR . 7.5 m -157.04 118.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 14.1 t80 -112.48 124.26 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.88 134.66 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -119.88 149.52 41.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.68 45.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.68 150.31 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -98.53 136.53 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 56' ' ' SER . 97.5 m-85 -51.18 -39.2 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.84 -26.7 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 t -62.17 168.66 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -147.17 134.9 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.67 -48.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' CG ' ' H ' ' A' ' 31' ' ' ALA . 5.5 pt-20 -57.1 -59.28 5.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' H ' ' CG ' ' A' ' 30' ' ' GLU . . . -56.25 -56.05 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.0 tt -39.43 -52.25 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.67 -58.8 11.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -40.86 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' GLY . 67.9 t -76.88 -48.67 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 52.7 mt -71.89 -28.37 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' N ' HD13 ' A' ' 42' ' ' LEU . 37.7 mt-30 -54.38 -33.78 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -45.61 -42.75 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -74.45 -41.04 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.53 152.19 18.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.25 116.14 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -75.45 125.01 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 16.8 tptp -64.15 -42.43 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -158.82 144.35 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 HG12 ' CD ' ' A' ' 29' ' ' GLU . 2.8 p -130.36 118.84 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -135.93 136.25 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 29' ' ' GLU . 7.7 p -119.62 121.73 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 49' ' ' LEU . 5.8 p -59.08 138.58 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' N ' HG22 ' A' ' 48' ' ' VAL . 13.0 mt -133.44 156.14 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 1.9 t-80 -62.79 140.65 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.78 -27.65 26.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.31 -51.24 9.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.489 HG22 ' CD2' ' A' ' 55' ' ' HIS . 14.8 t -133.52 178.47 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.55 45.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' CD2' HG22 ' A' ' 53' ' ' THR . 5.1 m170 -92.63 121.31 33.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.6 p -71.09 112.63 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.23 -36.75 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.42 23.79 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.61 155.91 24.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.59 155.08 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 42.3 m-85 -118.69 137.07 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -135.33 178.31 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 27.6 tt0 -146.21 153.86 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 15.9 m-85 -114.77 170.24 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.469 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 5.1 mmt -85.71 -29.08 24.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.464 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 58.7 p -138.05 135.5 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.426 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 72.1 mt-30 -40.9 -53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.54 -44.78 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -54.39 -55.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.69 -48.18 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.644 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.8 mm-40 -59.72 -39.82 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.35 -33.7 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.85 -35.84 79.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.71 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.45 -33.59 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -30.28 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.66 9.41 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -101.41 100.91 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -47.72 -34.88 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -53.05 -41.29 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -56.6 115.92 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.9 pm0 -34.12 110.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.6 86.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.15 -36.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -39.11 134.44 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.12 141.73 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -143.13 128.82 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tp -116.65 105.73 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 69.34 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.48 78.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -136.09 123.7 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -70.88 106.89 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -80.78 132.57 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -108.14 102.4 11.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.8 t -96.33 133.09 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.64 144.44 30.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.77 103.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.498 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -86.83 -178.58 6.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 100' ' ' THR . 14.3 p -169.71 133.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' VAL . 27.0 m -34.69 -54.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -46.08 108.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -101.73 80.97 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 44.93 41.05 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.67 152.33 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.61 149.19 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.7 p -122.78 166.57 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.54 62.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.46 2.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.3 p -157.85 115.09 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.6 t -132.72 147.05 52.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -119.44 160.12 22.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -111.35 -43.01 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.29 59.45 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -82.66 130.7 35.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -95.56 91.18 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.21 115.67 6.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 10' ' ' SER . 4.4 pp -82.39 140.37 45.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -31.09 21.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.466 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 10.0 t -61.01 160.79 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.26 169.17 9.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.0 139.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.8 m -138.67 136.99 36.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 43.38 43.4 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.43 54.63 0.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 66' ' ' THR . 4.4 mttp -129.72 118.67 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 84.4 m -139.87 161.11 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG2' ' A' ' 17' ' ' THR . 11.4 m -154.63 118.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.697 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 43.5 t80 -110.67 124.3 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.23 129.88 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 41.0 mtm180 -116.46 148.39 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 72.83 49.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.4 mt -85.27 160.81 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 p -100.12 136.07 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.73 -45.57 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.02 -36.48 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 p -43.29 151.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -139.0 138.4 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 14.1 tt0 -38.6 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -69.11 -60.31 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.31 65.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 5.9 tt -45.32 -53.14 8.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.35 -59.01 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -40.61 -24.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLY . 95.4 t -77.11 -51.75 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.43 -27.95 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -53.77 -41.48 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -38.35 -42.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -75.66 -48.91 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.36 154.65 25.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.02 122.48 11.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -81.06 125.05 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CD ' ' HE3' ' A' ' 65' ' ' MET . 41.4 tptt -68.0 -44.39 76.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -159.6 129.42 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -119.37 111.6 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.23 137.75 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.7 121.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.98 140.4 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -130.67 150.43 51.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.8 t-80 -61.72 140.59 95.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.0 Cg_endo -69.74 -25.72 28.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -78.46 -53.19 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -138.9 177.12 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -79.51 48.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -100.43 91.12 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t -44.14 112.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -40.53 -36.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.89 12.76 3.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.9 p -147.38 167.24 24.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.78 29.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.5 m-85 -119.47 133.2 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 171.62 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.36 142.25 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 69' ' ' ALA . 20.5 m-85 -102.41 171.87 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HE3' ' CD ' ' A' ' 43' ' ' LYS . 5.5 mmt -89.53 -25.61 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 40.9 p -133.51 138.82 46.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -48.65 -50.47 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -50.9 -38.07 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.57 ' HB2' ' CD2' ' A' ' 64' ' ' PHE . . . -53.7 -60.39 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.41 32.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.724 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.0 OUTLIER -61.07 -46.48 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -58.53 -31.52 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.1 t -72.96 -31.75 64.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 93.3 mt -67.41 -65.92 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -26.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.37 22.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.85 -37.29 59.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -67.74 121.35 15.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.469 ' HA ' ' N ' ' A' ' 85' ' ' GLY . 1.3 pt? -77.2 -23.7 51.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.4 1.06 54.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.02 -76.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -157.64 118.19 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.69 -48.55 3.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' C ' ' HA ' ' A' ' 79' ' ' LEU . . . 155.26 -178.84 31.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' N ' ' HA ' ' A' ' 79' ' ' LEU . . . -104.97 -169.37 24.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.04 160.79 15.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -147.71 132.24 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 tp -116.86 99.22 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.6 27.63 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.35 25.84 35.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -126.5 120.62 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.42 120.29 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.9 mt -94.25 132.14 39.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -110.05 102.6 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.0 t -97.48 127.21 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.9 t70 -141.59 142.91 33.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 100.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -83.32 -176.7 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.02 110.38 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.1 m -83.04 92.31 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -66.19 163.37 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.74 138.82 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -108.61 41.67 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.86 111.36 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 50.66 42.27 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -81.13 85.07 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.51 142.25 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.1 t -104.03 98.47 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 m -151.4 158.13 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.446 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -72.5 98.78 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -83.97 104.94 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.38 -120.38 6.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -128.08 165.1 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -153.06 153.34 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 19.26 73.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.548 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -41.56 150.01 0.36 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.96 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -71.88 108.4 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -163.56 171.26 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -145.64 108.69 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 p -151.43 165.84 32.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.91 54.77 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.02 49.74 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 66' ' ' THR . 3.8 mttp -126.75 118.68 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 18' ' ' VAL . 54.7 m -139.77 160.72 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' N ' ' CG2' ' A' ' 17' ' ' THR . 5.8 m -154.45 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.747 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 52.2 t80 -112.7 121.98 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.86 138.66 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -121.69 158.77 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t30 66.52 37.77 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 18.4 mt -70.25 148.8 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -93.2 138.72 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -53.05 -22.9 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.96 -35.99 59.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.2 t -49.77 162.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 143.83 23.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' CG ' HG23 ' A' ' 45' ' ' VAL . 15.4 tt0 -38.85 -40.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -58.29 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.24 -57.02 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 4.1 tt -39.31 -58.82 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -56.98 -48.1 81.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.76 -19.32 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.7 t -87.29 -32.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.3 mt -88.52 -19.03 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.49 -28.43 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -49.84 -43.88 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -69.18 -49.41 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.87 179.77 38.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.98 127.56 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.7 mt -89.96 119.34 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' GLN . 17.8 tptm -61.25 -46.09 91.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -162.97 135.32 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG23 ' CG ' ' A' ' 29' ' ' GLU . 1.2 p -120.65 112.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.33 134.64 52.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 p -118.13 126.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p -67.14 118.94 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -115.3 163.58 15.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 3.7 t-80 -58.73 141.15 85.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.83 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.77 -12.49 32.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -115.66 -43.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -116.32 -178.44 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -108.82 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -102.5 120.52 40.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.5 t -52.38 103.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -39.36 -37.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.88 1.63 2.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 29.0 p -156.81 166.32 33.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 23' ' ' LEU . . . -150.49 164.92 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.747 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 48.7 m-85 -128.84 133.6 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.76 171.82 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 43' ' ' LYS . 3.7 tt0 -139.65 138.33 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD1' ' CB ' ' A' ' 69' ' ' ALA . 14.0 m-85 -97.85 171.89 8.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mtp -95.07 -20.05 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.421 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 9.2 p -135.95 129.51 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.25 -50.07 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 12.5 tp10 -50.59 -40.74 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.594 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -50.13 -63.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.03 -43.63 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.681 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.6 mm-40 -65.67 -37.12 85.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 67.6 mttt -68.89 -23.91 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.36 -35.55 27.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 60.9 mt -67.32 -61.21 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.02 -33.21 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.06 -28.33 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.08 -12.01 59.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -106.22 101.53 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.68 -19.28 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' N ' HD23 ' A' ' 79' ' ' LEU . 7.1 pt-20 -82.52 -28.14 31.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.65 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -130.96 33.33 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.04 42.07 59.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' C ' ' HA ' ' A' ' 79' ' ' LEU . . . -152.66 119.92 1.01 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.27 19.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 mp -88.39 154.86 20.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -147.47 148.01 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 93' ' ' LEU . 3.3 tp -129.99 97.85 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.95 40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.95 13.89 82.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -114.74 128.3 56.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -71.84 113.3 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 32.7 mt -83.85 106.82 15.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -90.72 102.62 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 18.4 t -100.45 130.15 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 11.6 t70 -141.79 144.56 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.92 100.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 97' ' ' LEU . . . -82.76 -178.6 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.5 t -139.6 120.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 m -86.98 -64.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.74 140.65 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -116.41 152.32 34.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.68 42.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.24 100.39 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.7 134.02 36.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -63.02 -47.23 83.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.51 83.6 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 126.33 13.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -149.42 111.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.8 t -87.81 -46.62 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.4 mttp -121.88 119.1 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.718 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.0 m -139.49 162.29 35.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.769 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.2 m -156.15 118.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 57.6 t80 -110.89 126.53 54.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 32' ' ' LEU . 2.6 mp -99.56 132.52 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 36.6 mtp180 -118.67 158.02 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.1 t30 64.56 39.63 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CA ' ' A' ' 59' ' ' CYS . 35.3 mt -72.67 150.21 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 15.2 t -97.92 144.73 27.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -48.88 -30.63 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.74 -32.06 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.8 t -56.4 141.9 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.38 150.53 44.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.53 -37.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.84 -59.1 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.98 -57.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -39.14 -58.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.36 -49.21 65.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.48 -17.74 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' ALA . 82.3 t -85.96 -31.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.693 ' HB2' HD11 ' A' ' 42' ' ' LEU . 46.1 mt -96.22 -8.62 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.782 ' HG3' HD12 ' A' ' 42' ' ' LEU . 12.7 mt-30 -73.17 -34.11 65.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -47.43 -45.36 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.14 -43.36 92.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.65 175.46 45.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.38 131.81 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 37' ' ' GLN . 13.6 mt -96.09 126.3 41.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -69.24 -49.43 56.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -159.25 136.72 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.08 112.21 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -126.9 135.29 50.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.75 114.88 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 59' ' ' CYS . 7.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.661 ' CA ' HD12 ' A' ' 23' ' ' LEU . 1.7 p -161.65 144.2 11.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.51 156.46 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 49.9 m-85 -122.92 134.15 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.769 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.14 171.23 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.2 tt0 -141.34 141.15 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.897 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 14.7 m-85 -101.74 170.53 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtp -92.67 -17.3 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.42 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.4 p -139.97 139.82 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.77 -48.13 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.03 -36.51 60.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.897 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.68 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.84 -44.6 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.33 -38.36 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -63.92 -28.88 70.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.949 ' SG ' HG11 ' A' ' 95' ' ' VAL . 14.5 t -73.17 -39.72 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -60.21 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.6 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -89.61 -36.34 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -75.76 -11.97 60.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 77' ' ' ALA . 9.5 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -145.39 140.58 27.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.1 tp -137.43 109.11 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.38 41.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.96 30.62 72.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 29.7 mtt180 -142.28 122.27 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.96 149.19 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 88' ' ' LEU . 20.4 mt -118.26 129.61 55.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -107.26 104.66 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.949 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -100.3 123.1 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -137.51 144.38 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.08 100.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.31 -179.92 7.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 66' ' ' THR . 6.2 mttp -119.57 118.32 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.65 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 30.3 m -140.12 162.26 35.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.956 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 10.9 m -157.84 118.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 41.6 t80 -112.01 123.41 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.44 134.92 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -121.66 149.69 42.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t30 71.21 50.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 59' ' ' CYS . 42.9 mt -76.97 165.61 24.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 144.26 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -61.66 -16.69 50.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.6 -25.97 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.3 m -61.66 151.5 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLU . 9.3 mt-10 -141.6 147.49 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' GLU . 15.2 tt0 -34.48 -39.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.96 -47.64 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.7 tt -49.31 -54.9 14.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -62.68 -55.17 28.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -42.66 -24.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG21 HD13 ' A' ' 88' ' ' LEU . 78.4 t -78.33 -57.76 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.974 ' HB2' HD11 ' A' ' 42' ' ' LEU . 51.3 mt -61.35 -31.93 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 42' ' ' LEU . 27.7 mt-30 -55.22 -14.49 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 4.4 pt20 -64.2 -44.71 91.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.545 ' HE1' HD21 ' A' ' 86' ' ' LEU . 78.4 m-85 -75.04 -37.77 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.33 154.3 15.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.3 158.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.4 mt -122.91 113.84 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -53.35 -50.37 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -158.6 141.04 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.31 105.55 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -118.36 136.66 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.3 p -117.24 120.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.583 ' CA ' HD12 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -157.63 159.35 36.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.9 155.01 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -114.71 134.14 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.956 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -131.51 166.37 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.4 tt0 -139.82 120.52 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 12.0 m-85 -80.05 163.79 23.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mmm -83.71 -17.99 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.477 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 19.1 p -141.65 149.41 40.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.7 -45.43 89.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.59 -40.61 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.03 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -43.43 -48.64 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -56.95 -48.43 78.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.59 -21.65 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.853 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.7 t -86.63 -24.84 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 96' ' ' ASP . 52.5 mt -78.11 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.07 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 86' ' ' LEU . . . -86.58 -21.85 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . . . -84.13 -37.25 22.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD21 ' HE1' ' A' ' 39' ' ' PHE . 9.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -147.04 128.04 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.925 ' HB2' HD11 ' A' ' 93' ' ' LEU . 13.5 tp -107.49 99.9 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 74.87 47.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.91 15.12 64.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -115.57 124.06 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -64.84 133.94 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 88' ' ' LEU . 11.4 mt -114.7 142.98 45.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -113.83 102.49 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' SG ' ' A' ' 73' ' ' CYS . 32.5 t -98.99 127.65 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HA ' HD22 ' A' ' 74' ' ' LEU . 35.6 t70 -142.23 144.46 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.84 99.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -83.95 179.22 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.6 mttp -117.42 118.67 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.1 m -139.83 161.3 37.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.716 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.5 m -152.96 122.0 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.694 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 45.9 t80 -114.63 119.82 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.5 mp -94.58 136.4 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -122.07 159.8 26.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 t30 63.86 53.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 59' ' ' CYS . 44.4 mt -89.88 159.57 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' SER . 7.7 t -98.37 132.06 44.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -39.9 -46.4 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' SER . 2.4 p30 -56.18 -38.65 71.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.5 p -36.76 149.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.92 142.6 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.68 -42.22 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.68 -58.06 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -58.11 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.754 ' C ' HD23 ' A' ' 32' ' ' LEU . 3.8 tt -38.71 -53.66 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 35' ' ' VAL . . . -65.13 -55.23 22.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -45.9 -21.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' GLY . 41.9 t -80.89 -43.43 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.97 ' HB2' HD11 ' A' ' 42' ' ' LEU . 42.8 mt -75.99 -37.53 58.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.733 ' HG2' HD12 ' A' ' 42' ' ' LEU . 27.6 mt-30 -46.06 -35.59 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -48.97 -36.48 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.94 -44.29 27.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.22 157.8 29.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -52.15 123.87 11.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 36' ' ' LEU . 11.7 mt -88.02 130.94 34.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 19.7 tptp -73.96 -46.18 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -157.37 145.24 18.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -130.9 117.51 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -133.03 132.33 41.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.93 109.13 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 7.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.619 ' CA ' HD12 ' A' ' 23' ' ' LEU . 2.2 m -153.89 168.58 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.713 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.29 158.42 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.694 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 77.7 m-85 -120.93 137.55 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -139.4 171.09 14.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.512 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.0 tt0 -139.11 148.32 43.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.943 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.4 m-85 -109.42 171.78 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.479 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 mmt -95.21 -21.71 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 24.6 p -134.07 128.58 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -40.96 -52.8 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.18 -38.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -52.63 -65.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.11 -43.29 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.17 -43.89 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -61.57 -22.58 65.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.922 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.0 t -79.6 -33.76 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ALA . 33.6 mt -68.64 -65.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.47 -31.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.03 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.05 -19.15 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.783 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -142.66 137.7 30.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 93' ' ' LEU . 6.8 tp -120.78 101.07 7.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.67 26.96 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.69 40.16 6.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -148.06 121.19 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.24 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 88' ' ' LEU . 14.6 mt -99.89 103.3 14.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.922 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.9 t -100.6 128.89 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -140.87 143.12 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.75 99.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.756 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -81.93 -177.92 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.4 mttp -123.09 118.48 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.661 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 29.5 m -140.0 162.52 34.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.5 m -155.92 118.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.722 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 24.4 t80 -110.3 129.38 55.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.36 129.69 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -120.03 155.03 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.43 43.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 59' ' ' CYS . 34.9 mt -78.88 150.74 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 p -85.58 139.46 31.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -56.58 -13.58 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -92.66 -26.85 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.503 ' HB2' HD23 ' A' ' 88' ' ' LEU . 28.1 t -54.0 151.92 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' GLU . 25.4 mt-10 -136.54 142.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.7 tt0 -36.3 -41.2 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.1 -65.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -50.7 -36.02 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.1 tt -65.31 -52.71 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.31 -45.76 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.74 -19.3 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' ALA . 70.8 t -83.12 -44.56 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.919 ' HB2' HD11 ' A' ' 42' ' ' LEU . 22.0 mt -77.03 -25.27 52.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.621 ' CG ' HD12 ' A' ' 42' ' ' LEU . 19.2 mt-30 -58.18 -31.12 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -51.41 -37.13 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.62 -43.29 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.02 168.89 42.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.43 119.9 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.4 mt -81.52 124.66 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.87 -46.08 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -163.04 136.63 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.5 p -124.86 112.52 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -123.15 138.18 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -117.78 124.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.0 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.731 ' C ' HD12 ' A' ' 23' ' ' LEU . 25.0 p -161.45 168.71 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.24 156.89 19.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 74.4 m-85 -120.47 138.59 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.61 173.9 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 7.8 tt0 -142.4 143.66 32.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 10.8 m-85 -103.84 162.64 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mmt -81.67 -24.74 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.4 p -133.6 132.71 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -50.95 -36.99 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.48 -24.88 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.0 -51.78 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -53.38 -40.23 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -66.32 -42.86 87.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -61.09 -29.57 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.802 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.3 t -71.03 -43.9 66.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' ALA . 52.2 mt -57.37 -66.02 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.45 -32.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.69 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.95 -29.39 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.818 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 9.5 mp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -146.33 138.34 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.9 tp -125.27 110.44 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.94 39.2 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.53 76.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -121.33 129.78 53.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -74.01 114.67 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 88' ' ' LEU . 49.5 mt -83.29 134.66 34.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.83 102.62 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.802 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.5 t -98.94 127.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -143.5 142.54 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.01 -176.25 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 66' ' ' THR . 10.4 mttt -120.77 118.2 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.615 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 40.1 m -140.37 161.48 37.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 16.1 m -158.0 123.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 59' ' ' CYS . 46.0 t80 -115.6 120.72 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.598 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.6 mp -94.43 134.12 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 46.1 mtm180 -120.46 151.99 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 71.93 42.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' C ' ' A' ' 59' ' ' CYS . 56.6 mt -77.67 158.91 29.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.13 143.14 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.48 -37.45 67.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.3 -36.0 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.1 t -49.22 147.65 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -131.6 155.17 47.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -51.1 -38.55 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -63.78 -51.98 62.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -63.75 -55.85 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -43.82 -51.6 7.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.9 45.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -52.17 -16.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' ALA . 93.2 t -84.43 -45.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.822 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.7 mt -75.19 -29.59 60.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.714 ' HG3' HD12 ' A' ' 42' ' ' LEU . 24.5 mt-30 -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -47.48 -32.08 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -84.7 -45.96 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.84 164.16 37.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.73 131.56 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 12.7 mt -94.34 112.41 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -55.59 -46.29 77.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HE2' HE21 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -163.96 145.33 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -132.2 115.1 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.94 131.09 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.1 p -116.71 112.57 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.586 ' C ' HD12 ' A' ' 23' ' ' LEU . 16.2 p -160.99 155.96 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.42 162.56 38.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 22.2 m-85 -119.69 139.77 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.48 168.73 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.498 HE21 ' HE2' ' A' ' 44' ' ' TYR . 4.1 tt0 -142.02 123.49 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.1 m-85 -82.85 171.51 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -97.84 -4.44 36.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.478 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 20.3 p -150.88 136.07 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -49.99 -46.89 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.12 -47.52 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -47.89 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.3 -51.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -60.86 -41.72 96.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -63.07 -24.61 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.759 ' SG ' HG11 ' A' ' 95' ' ' VAL . 4.4 t -78.88 -36.59 41.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.97 -26.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.06 -33.88 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.71 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.78 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -146.65 134.42 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.785 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.7 tp -120.55 109.49 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.96 39.27 13.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.78 28.87 62.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -126.71 124.79 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.717 0.294 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -71.3 106.78 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 88' ' ' LEU . 15.2 mt -79.61 123.83 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -105.39 102.28 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.759 HG11 ' SG ' ' A' ' 73' ' ' CYS . 38.9 t -97.23 126.38 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 143.09 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.02 99.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -87.04 -175.62 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 66' ' ' THR . 10.1 mttt -122.31 118.92 29.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.632 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.1 m -139.53 162.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.634 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.6 m -156.37 118.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.739 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 37.0 t80 -112.63 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp -95.43 141.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.26 156.13 43.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t30 65.76 45.91 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.74 HD12 ' CA ' ' A' ' 59' ' ' CYS . 43.7 mt -78.1 157.04 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.442 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 14.9 t -101.19 142.16 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -49.34 -37.62 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 89' ' ' ASP . 4.1 t70 -61.45 -30.74 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.5 t -54.47 155.14 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.3 mt-10 -154.56 139.89 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 28' ' ' GLU . 14.6 tt0 -34.58 -42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -55.4 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.614 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -66.89 -56.29 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -43.32 -51.54 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.2 -57.32 15.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -44.6 -23.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.0 t -76.46 -51.13 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 42' ' ' LEU . 36.4 mt -68.86 -33.65 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 42' ' ' LEU . 30.7 mt-30 -50.23 -29.25 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -51.19 -47.27 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 85.9 m-85 -66.75 -50.74 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.38 172.93 39.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.24 133.0 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 36' ' ' LEU . 22.3 mt -96.94 122.19 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.6 -46.75 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -161.22 132.15 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.51 109.46 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -121.91 135.4 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.36 114.9 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.74 ' CA ' HD12 ' A' ' 23' ' ' LEU . 15.9 p -159.28 166.91 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -159.29 156.86 29.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 68.6 m-85 -120.06 134.62 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.634 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.27 168.18 19.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -138.86 136.21 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -96.34 169.93 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 mtp -93.79 -14.65 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 50.9 p -140.75 138.9 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.14 -46.08 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 9.5 tp10 -52.11 -36.02 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -59.49 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.68 -44.36 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.1 -41.57 90.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 56.2 mttt -64.46 -25.14 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.569 ' SG ' HG11 ' A' ' 95' ' ' VAL . 18.7 t -77.59 -34.83 53.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -67.32 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.15 -26.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . -88.14 -30.57 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -38.64 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 76' ' ' ALA . 8.1 mp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.888 0.375 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -138.83 136.81 36.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.741 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.7 tp -123.07 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 4.7 m-20 61.81 32.35 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.71 40.12 27.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.442 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 11.3 mtt-85 -147.72 122.13 9.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -56.82 145.02 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.4 mt -117.41 136.79 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -115.0 107.34 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.569 HG11 ' SG ' ' A' ' 73' ' ' CYS . 46.2 t -104.47 129.22 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -141.09 145.12 35.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 99.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.33 -175.02 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -120.71 118.69 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.629 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 24.1 m -139.87 160.97 38.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.173 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 18' ' ' VAL . 7.7 m -156.58 118.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.8 t80 -111.44 125.36 53.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.602 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.7 mp -96.48 138.62 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 14.2 mtp180 -124.05 156.94 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 t30 68.11 40.81 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.671 HD12 ' CA ' ' A' ' 59' ' ' CYS . 40.8 mt -75.16 146.86 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -86.01 142.47 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.18 -35.2 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -68.51 -36.39 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' ASP . 15.6 p -35.1 147.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' GLU . 46.0 mt-10 -141.77 135.17 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLU . 24.0 tt0 -36.78 -44.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.18 -60.71 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.09 -56.73 18.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.5 tt -41.36 -50.91 3.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.33 -55.91 24.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -47.33 -22.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -79.14 -37.88 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.761 ' HB2' HD11 ' A' ' 42' ' ' LEU . 31.0 mt -85.86 -24.04 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.556 ' HG3' HD12 ' A' ' 42' ' ' LEU . 45.1 mt-30 -59.02 -30.96 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 1.9 pt20 -48.89 -47.33 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 82.7 m-85 -69.25 -54.68 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.67 169.69 33.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.44 121.09 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 36' ' ' LEU . 17.3 mt -78.25 118.21 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -60.9 -38.86 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -166.74 132.35 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.8 p -119.15 115.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -133.87 129.81 36.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.77 124.01 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.671 ' CA ' HD12 ' A' ' 23' ' ' LEU . 13.4 m -145.09 168.57 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.75 161.83 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -124.17 137.88 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.34 170.11 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -138.27 148.24 44.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -108.77 171.84 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mtp -96.29 -14.17 22.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -138.93 140.0 38.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.5 -47.56 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -52.96 -37.97 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -52.39 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.43 -50.4 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -57.87 -48.52 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -56.56 -27.19 57.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.727 ' SG ' HG11 ' A' ' 95' ' ' VAL . 11.8 t -78.34 -35.23 47.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.36 -62.31 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.04 -29.38 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 -38.4 22.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -34.74 74.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.768 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -141.07 129.7 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.612 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.1 tp -115.11 99.77 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.67 33.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.23 20.17 63.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -120.32 126.0 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 111.68 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 88' ' ' LEU . 40.9 mt -80.46 111.97 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -92.55 105.15 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.6 t -101.24 127.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.64 144.84 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 99.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.46 179.84 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 67' ' ' GLN . 4.6 mttp -118.3 118.33 31.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.763 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.7 m -140.0 161.24 38.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.778 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.6 m -152.84 119.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.619 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 48.2 t80 -112.74 124.98 53.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -98.6 134.39 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 37.3 mtp180 -118.46 149.28 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 t30 72.17 49.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 59' ' ' CYS . 38.9 mt -82.55 150.74 26.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -90.47 139.72 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.19 -41.27 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.57 -30.15 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 p -45.63 152.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.1 mt-10 -139.37 136.51 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLU . 17.6 tt0 -37.22 -44.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.57 -57.67 11.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.78 -51.95 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -45.19 -54.8 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.63 90.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -51.35 -22.12 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' CG1' HD23 ' A' ' 86' ' ' LEU . 86.2 t -80.62 -51.39 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' SG ' ' A' ' 73' ' ' CYS . 28.2 mt -71.31 -22.82 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' CG ' HD12 ' A' ' 42' ' ' LEU . 11.9 mt-30 -56.63 -23.79 43.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 5.7 pt20 -65.69 -32.22 73.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 68.1 m-85 -94.08 22.58 5.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.68 155.51 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.74 141.47 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -100.53 129.99 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -72.67 -50.07 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -151.98 135.57 16.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -124.68 109.38 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -124.16 135.33 53.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 60' ' ' ALA . 6.4 p -115.86 110.89 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.654 ' C ' HD12 ' A' ' 23' ' ' LEU . 1.3 p -161.74 147.66 13.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -152.76 159.74 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 57.7 m-85 -121.89 135.26 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.4 177.86 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.1 tt0 -148.51 139.85 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 13.9 m-85 -101.2 171.99 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 mmt -82.5 -33.81 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 27.0 p -132.6 143.11 49.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.469 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 93.9 mt-30 -47.45 -52.27 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -46.07 -41.76 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.8 -60.83 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -45.77 -35.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.52 -40.36 80.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -64.33 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.868 ' SG ' HD22 ' A' ' 36' ' ' LEU . 10.4 t -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 48.8 mt -68.58 -68.48 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -74.38 -31.84 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.21 -33.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD23 ' CG1' ' A' ' 35' ' ' VAL . 8.3 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -141.25 128.93 21.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.694 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.3 tp -116.05 131.94 56.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 48.6 29.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.04 34.71 32.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -138.7 129.23 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.06 139.91 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 88' ' ' LEU . 19.6 mt -113.36 132.81 55.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -109.83 105.32 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.852 HG11 ' SG ' ' A' ' 73' ' ' CYS . 27.8 t -97.53 131.41 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 23.3 t0 -145.43 142.55 29.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.6 99.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.763 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -80.82 176.92 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 99' ' ' VAL . 7.8 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.8 mttp -121.26 118.37 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.651 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.2 m -140.15 162.74 34.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.713 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.6 m -158.12 118.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 27.2 t80 -111.74 124.8 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.95 134.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 45.4 mtp85 -120.09 150.79 40.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.76 53.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CA ' ' A' ' 59' ' ' CYS . 62.9 mt -94.52 151.93 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 145.19 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.35 -40.07 70.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 27' ' ' SER . 2.3 p30 -60.05 -37.47 79.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.451 ' HB2' HD23 ' A' ' 88' ' ' LEU . 41.4 t -47.61 139.16 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' GLU . 16.4 mt-10 -120.73 141.89 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLU . 10.1 tt0 -37.17 -33.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.6 mt-10 -72.82 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -49.56 -32.53 12.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.4 tt -70.6 -51.81 25.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.98 94.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -53.58 -23.98 12.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 31' ' ' ALA . 20.6 t -78.81 -40.6 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 42' ' ' LEU . 57.5 mt -78.67 -28.47 45.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 42' ' ' LEU . 24.6 mt-30 -57.73 -37.51 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -44.24 -33.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -80.54 -53.55 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.55 162.38 34.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.2 131.19 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.6 mt -95.47 130.1 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -72.54 -43.85 62.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -163.81 146.27 9.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.19 107.62 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -119.77 134.59 55.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.22 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' CA ' HD12 ' A' ' 23' ' ' LEU . 29.1 p -157.4 162.42 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.07 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 56.7 m-85 -114.62 136.58 52.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.713 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.54 174.36 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.9 tt0 -145.45 137.18 25.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.841 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 m-85 -98.49 164.68 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.2 mtp -85.26 -20.5 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.445 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 39.0 p -140.45 132.24 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -43.54 -51.79 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.81 -40.58 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.841 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -57.11 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.65 -45.99 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.56 -46.56 89.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.56 -24.69 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.944 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.3 t -79.29 -31.42 43.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 28.2 mt -75.17 -63.25 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.79 -36.18 18.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.71 80.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.368 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -146.76 141.47 26.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 27' ' ' SER . 4.4 tp -121.36 98.68 6.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 70.07 49.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.12 32.92 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -132.67 120.39 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -71.47 117.52 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 23' ' ' LEU . 10.5 mt -88.8 124.61 34.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -101.02 102.34 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.944 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.6 t -96.89 128.71 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -143.21 143.37 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.76 99.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.651 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.8 -177.16 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 6.1 mttp -125.87 118.36 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 53.7 m -140.07 163.51 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.599 ' N ' HG22 ' A' ' 17' ' ' THR . 6.8 m -158.09 118.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.9 t80 -111.14 121.85 46.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 23' ' ' LEU . 3.7 mp -95.58 138.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -125.71 157.95 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 t30 64.46 49.27 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 59' ' ' CYS . 44.7 mt -87.87 149.64 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 5.3 t -89.59 128.3 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -55.4 -41.37 72.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' SER . 41.2 t -39.43 157.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.2 mt-10 -145.94 136.29 23.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLU . 20.1 tt0 -34.97 -42.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.89 -60.39 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.936 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.15 -52.6 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -49.41 -50.32 41.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.64 -56.43 24.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -51.95 -16.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 31' ' ' ALA . 59.5 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.855 ' HB2' HD11 ' A' ' 42' ' ' LEU . 24.3 mt -94.1 -39.08 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' C ' ' CD ' ' A' ' 37' ' ' GLN . 4.3 pp0? -50.25 -18.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -57.52 -44.93 85.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.433 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.7 m-85 -75.26 -24.85 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.25 141.01 4.07 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -46.69 118.86 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 36' ' ' LEU . 28.6 mt -75.31 141.05 43.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -86.2 -44.66 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -158.65 124.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -116.82 117.9 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -129.62 136.89 50.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.1 p -119.31 117.44 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' C ' HD12 ' A' ' 23' ' ' LEU . 73.0 m -153.39 153.13 31.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.03 153.13 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 33.5 m-85 -117.58 132.53 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.95 174.18 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -139.9 146.8 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.789 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -105.93 171.05 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 mmt -85.84 -32.19 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.1 p -130.19 145.62 51.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.08 -50.1 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -51.57 -38.31 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.789 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -51.86 -58.51 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.43 -52.94 51.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -55.26 -39.86 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.7 t -74.36 -38.93 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' ALA . 68.0 mt -59.37 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.31 -27.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.75 -27.76 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.57 -33.94 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -144.22 127.5 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.1 tp -119.43 101.29 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t0 73.12 41.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.41 37.35 79.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -142.5 120.81 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -62.26 123.65 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 88' ' ' LEU . 47.6 mt -89.48 123.88 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -104.56 103.29 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' O ' HD22 ' A' ' 74' ' ' LEU . 29.6 t -103.96 127.0 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -138.59 145.04 40.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.07 100.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.87 -175.3 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 5.0 mttp -119.45 117.9 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.666 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 55.0 m -140.37 152.78 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.749 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.3 m -148.61 118.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 40.9 t80 -110.36 125.93 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -100.18 137.3 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.0 mtt180 -123.96 169.92 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.4 t30 54.82 42.92 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 59' ' ' CYS . 60.8 mt -77.38 155.58 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.4 p -98.42 132.71 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.06 -31.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.85 -37.92 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 t -45.91 162.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.29 165.24 30.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.99 -35.77 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.15 -56.87 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.81 -53.76 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.749 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -42.83 -54.12 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.22 -54.59 35.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -46.1 -21.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' ALA . 78.3 t -79.05 -43.99 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.967 ' HB2' HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.26 -37.49 57.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.754 ' HG3' HD12 ' A' ' 42' ' ' LEU . 53.4 mt-30 -46.19 -42.32 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pt20 -37.99 -39.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 81.9 m-85 -80.11 -48.29 13.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.5 152.06 21.55 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -48.89 128.85 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.1 mt -89.83 114.52 26.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -55.26 -41.66 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -164.19 146.72 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.46 112.16 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -126.22 132.17 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.5 p -117.6 110.29 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.538 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.3 p -161.43 152.38 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.558 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.88 155.74 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 27.6 m-85 -119.16 134.93 54.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.68 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.5 tt0 -144.56 131.94 20.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 10.6 m-85 -90.03 169.88 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.51 -24.5 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.471 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 17.8 p -140.97 145.86 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 7.8 mm-40 -51.5 -49.75 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -46.45 -42.53 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.03 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -42.27 -45.0 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -64.68 -40.98 96.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -64.42 -25.83 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' HG11 ' A' ' 95' ' ' VAL . 15.3 t -79.17 -37.22 38.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 96' ' ' ASP . 96.0 mt -62.1 -60.29 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.06 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -76.95 -31.28 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.59 -37.0 57.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.789 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 10.8 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -147.51 144.55 28.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -135.57 110.9 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.62 29.89 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.76 26.27 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -127.2 120.95 29.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.94 107.15 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.95 132.46 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.68 102.44 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.691 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.4 t -100.55 129.83 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.0 t70 -144.84 143.63 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.94 -177.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.7 mttp -123.59 118.82 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.736 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 32.4 m -139.69 162.61 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.944 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 4.7 m -156.08 118.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 53.9 t80 -111.22 128.08 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 32' ' ' LEU . 3.7 mp -99.73 132.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.4 mtp85 -119.54 150.1 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 70.98 47.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.754 HD12 ' CA ' ' A' ' 59' ' ' CYS . 51.2 mt -78.98 148.55 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.401 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 4.3 t -81.89 144.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.81 -15.98 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.49 -19.01 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.616 ' OG ' HD23 ' A' ' 88' ' ' LEU . 67.0 m -51.83 155.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.53 159.19 44.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.97 -35.91 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.95 -52.1 47.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -65.39 -56.54 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.715 HD11 HD13 ' A' ' 20' ' ' ILE . 5.3 tt -40.78 -53.73 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.23 -47.52 90.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.88 -14.46 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 88' ' ' LEU . 99.5 t -89.18 -27.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 42' ' ' LEU . 65.4 mt -97.54 -22.14 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.662 ' CG ' HD12 ' A' ' 42' ' ' LEU . 22.1 mt-30 -61.04 -36.31 79.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.73 -37.58 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -74.96 -49.09 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.16 174.58 42.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.19 127.94 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 36' ' ' LEU . 14.0 mt -93.41 105.02 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -47.58 -49.62 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -159.05 136.31 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.61 104.81 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -117.12 134.07 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.71 110.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.8 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.754 ' CA ' HD12 ' A' ' 23' ' ' LEU . 6.7 m -154.35 163.38 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -153.62 166.69 31.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 23.1 m-85 -127.33 137.3 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.06 169.49 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -145.08 126.17 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.836 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 19.9 m-85 -87.64 171.67 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -94.03 -22.51 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 20.0 p -132.87 133.06 42.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.88 -51.51 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -49.68 -37.79 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.836 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.27 -63.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.38 -48.56 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -61.14 -42.39 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -62.17 -21.86 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 95' ' ' VAL . 3.5 t -82.34 -32.75 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 95' ' ' VAL . 39.4 mt -69.49 -66.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.67 -32.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.21 -36.26 27.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.27 -22.49 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -139.73 135.54 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.805 ' HB2' HD11 ' A' ' 93' ' ' LEU . 1.7 tp -116.47 104.7 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 64.21 30.26 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.76 17.99 57.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 20.5 mmt180 -122.36 117.73 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -59.93 130.5 47.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 88' ' ' LEU . 27.3 mt -104.14 133.86 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -110.63 104.89 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 73' ' ' CYS . 35.6 t -97.62 126.73 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -139.96 142.56 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.736 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.47 -176.21 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -122.24 118.41 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.631 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 35.0 m -139.95 162.76 34.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.7 m -158.17 118.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.2 t80 -112.91 125.22 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.3 mp -95.91 140.08 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.9 mtp85 -123.27 152.28 41.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t30 69.04 45.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 59' ' ' CYS . 25.9 mt -72.94 156.89 38.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -100.74 139.07 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -51.8 -28.61 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -72.32 -33.92 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.855 ' OG ' HD23 ' A' ' 88' ' ' LEU . 34.1 m -49.1 156.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -149.36 140.15 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -38.34 -40.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.21 81.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.04 -56.97 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -40.07 -56.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.89 -44.51 98.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.37 -17.57 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 88' ' ' LEU . 84.2 t -89.75 -40.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 42' ' ' LEU . 33.3 mt -84.45 -9.84 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 13.5 mt-30 -71.8 -32.69 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 3.8 pt20 -49.61 -51.08 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 59.2 m-85 -57.75 -57.29 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.76 -174.72 23.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.21 120.94 22.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 37' ' ' GLN . 16.3 mt -79.52 131.78 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -81.48 -51.7 8.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.2 p90 -154.56 127.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.7 p -116.29 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -122.06 133.19 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 60' ' ' ALA . 4.3 p -119.33 113.29 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.909 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.693 ' C ' HD12 ' A' ' 23' ' ' LEU . 22.1 p -159.04 170.51 21.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.52 159.49 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 47.0 m-85 -122.81 132.37 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 169.39 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.3 tt0 -138.18 140.38 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 12.8 m-85 -98.67 171.91 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 mmt -94.91 -12.2 27.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -144.9 142.01 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.82 -49.07 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -51.5 -42.76 61.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.28 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.78 -55.57 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -53.55 -43.99 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -61.53 -26.18 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 95' ' ' VAL . 1.7 t -79.74 -27.08 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -75.25 -67.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.61 -34.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.12 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.11 -38.3 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.78 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -146.87 127.78 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.945 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -117.26 120.9 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.6 26.15 15.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.91 32.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -139.37 129.22 24.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -58.87 140.58 55.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' HB2' ' A' ' 88' ' ' LEU . 33.7 mt -112.51 116.8 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -98.7 105.3 17.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 73' ' ' CYS . 58.7 t -101.44 128.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.98 144.89 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 100.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.61 -176.55 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.0 mttp -124.34 118.97 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.722 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 34.1 m -139.47 162.62 34.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.834 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -157.24 118.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 3.0 t80 -111.48 124.72 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 60' ' ' ALA . 2.3 mp -99.69 130.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ASN . 7.8 ttp180 -107.31 -176.19 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 35.1 t30 34.12 54.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 59' ' ' CYS . 15.2 mt -82.28 149.05 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.78 143.67 39.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -67.41 -15.82 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.22 -17.11 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -56.77 151.22 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -134.37 141.95 47.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 45' ' ' VAL . 11.6 tt0 -38.9 -41.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.91 -59.6 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.88 -54.59 44.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -45.03 -49.33 11.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.12 -48.7 67.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.5 -18.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.8 t -83.01 -45.97 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 42' ' ' LEU . 16.9 mt -77.5 -19.26 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.685 ' HG3' HD12 ' A' ' 42' ' ' LEU . 28.3 mt-30 -60.74 -38.25 84.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -41.84 -44.61 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -71.09 -58.68 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.24 169.17 31.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.52 117.44 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.8 mt -76.52 122.82 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -65.69 -48.66 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.2 p90 -155.73 136.6 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 29' ' ' GLU . 1.6 p -123.96 115.88 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -128.57 134.95 48.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.84 110.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 59' ' ' CYS . 6.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -161.84 143.3 11.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -142.73 143.08 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' CE2' ' HD2' ' A' ' 19' ' ' PHE . 20.6 m-85 -101.77 138.36 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.834 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.75 168.76 19.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.8 tt0 -141.29 141.14 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.856 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -101.8 172.01 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mmt -88.81 -28.2 20.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 22.4 p -131.31 145.48 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -53.33 -50.24 65.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.75 -38.66 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.58 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -57.78 -45.3 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -58.46 -27.5 64.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.961 ' SG ' HG11 ' A' ' 95' ' ' VAL . 9.7 t -76.25 -33.18 59.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 95' ' ' VAL . 23.2 mt -68.02 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.68 -28.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.97 -35.07 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 -28.62 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.784 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -134.44 141.37 46.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.3 tp -124.55 109.8 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.98 28.28 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.01 26.57 31.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -124.63 129.63 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -76.14 106.27 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 88' ' ' LEU . 14.3 mt -80.23 128.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -107.34 103.64 13.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.961 HG11 ' SG ' ' A' ' 73' ' ' CYS . 45.3 t -97.39 122.95 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.91 144.64 41.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.93 100.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.39 -175.63 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' THR . 11.2 mttt -122.42 118.63 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.9 m -139.74 162.85 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.579 ' N ' HG22 ' A' ' 17' ' ' THR . 7.3 m -158.3 119.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 40.3 t80 -113.06 123.91 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.89 132.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -119.57 148.48 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 72.03 51.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.73 HD12 ' CA ' ' A' ' 59' ' ' CYS . 66.0 mt -79.23 164.97 23.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.425 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 2.9 t -103.72 143.08 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -50.54 -39.05 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -36.33 84.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 p -41.67 147.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ALA . 17.2 mt-10 -145.66 135.39 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 tt0 -35.26 -41.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -62.72 -47.91 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.95 -55.93 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -39.25 -51.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.49 -56.55 23.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -43.09 -25.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 31' ' ' ALA . 34.5 t -77.56 -50.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.853 ' HB2' HD11 ' A' ' 42' ' ' LEU . 56.1 mt -75.67 -16.51 60.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 42' ' ' LEU . 10.5 mt-30 -68.04 -19.54 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.5 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -66.98 -56.1 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.18 175.04 34.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.89 122.81 17.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.352 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.2 mt -82.36 114.56 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -59.71 -47.07 87.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -160.91 140.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -127.9 112.66 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -128.89 129.72 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -115.47 124.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 48' ' ' VAL . 7.5 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.73 ' CA ' HD12 ' A' ' 23' ' ' LEU . 31.2 p -157.81 165.31 35.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.59 153.34 26.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.4 m-85 -116.29 135.8 53.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.67 168.83 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -136.52 137.19 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 9.8 m-85 -94.46 170.79 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.04 -6.57 38.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 25.0 p -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -53.11 -47.58 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.11 -37.61 64.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -57.28 -61.73 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -44.78 -52.05 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -57.38 -45.34 84.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.75 -26.19 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.777 ' SG ' HG11 ' A' ' 95' ' ' VAL . 20.4 t -78.16 -30.93 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.9 mt -71.06 -67.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.54 -30.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.71 -34.53 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -70.11 -27.79 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -138.35 133.7 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.777 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -115.6 100.83 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.5 27.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.29 18.87 54.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 30.4 mmt-85 -117.83 116.68 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -61.23 118.85 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 88' ' ' LEU . 18.9 mt -95.02 136.4 35.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -114.86 102.98 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.777 HG11 ' SG ' ' A' ' 73' ' ' CYS . 44.5 t -97.12 123.9 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -136.74 144.01 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.88 100.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.39 174.45 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 66' ' ' THR . 9.9 mttt -119.32 118.32 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.746 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 33.7 m -140.1 162.92 34.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.878 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.1 m -156.59 128.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 59' ' ' CYS . 62.0 t80 -120.2 119.55 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -97.0 132.82 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.15 173.79 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 t30 48.38 54.98 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD21 ' CG2' ' A' ' 20' ' ' ILE . 18.9 mt -86.18 143.13 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.4 t -78.21 142.12 38.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.2 -17.15 57.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.88 -15.51 29.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' HD23 ' A' ' 88' ' ' LEU . 20.2 m -63.32 155.34 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -133.41 169.73 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.05 -35.8 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.9 -44.76 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.76 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -50.62 -53.32 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.44 -49.9 72.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -50.23 -20.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 88' ' ' LEU . 45.3 t -86.3 -37.26 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.6 mt -90.03 -1.13 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 14.7 mt-30 -81.03 -39.11 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -41.41 -45.95 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -63.82 -58.46 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.25 -166.57 13.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -84.88 119.03 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.951 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -82.05 126.5 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -71.63 -58.54 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.1 p90 -148.43 129.91 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 p -116.46 113.26 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.3 138.59 52.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -116.01 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.8 m -156.53 157.54 35.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -153.29 162.87 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 79.3 m-85 -122.58 142.36 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.878 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -142.11 171.02 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -142.23 133.75 26.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.2 m-85 -96.79 164.49 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mmt -87.27 -16.8 34.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 22.1 p -138.03 144.66 41.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 6.5 mm-40 -60.53 -43.83 96.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.73 -30.24 65.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -62.47 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.71 -47.63 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -60.55 -38.04 83.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.96 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 36' ' ' LEU . 44.2 t -75.99 -41.75 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 86.0 mt -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.14 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -27.9 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.91 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -139.64 127.4 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.941 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.5 tp -106.79 98.58 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.26 38.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.02 9.47 87.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -110.87 118.23 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.67 123.53 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.9 mt -97.0 129.23 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.91 102.16 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.44 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.7 t -96.71 126.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -140.98 141.83 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.32 99.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.746 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.65 150.14 32.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.2 mttp -121.0 118.61 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.775 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 25.0 m -139.98 162.41 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.803 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.1 m -154.54 120.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 30.3 t80 -112.83 118.77 35.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.41 132.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -118.59 161.95 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 64.04 48.81 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 59' ' ' CYS . 84.3 mt -85.68 147.53 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -86.93 143.06 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -52.16 -26.06 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -75.16 -32.89 61.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.3 t -48.47 159.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -148.97 175.57 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -72.52 -35.5 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.79 -48.57 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.16 -50.4 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.3 tt -48.24 -59.33 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.25 -48.09 82.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.537 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -52.74 -20.07 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' ALA . 80.3 t -81.26 -46.73 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.784 HD22 ' SG ' ' A' ' 73' ' ' CYS . 80.1 mt -74.82 -27.29 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.798 ' HG3' HD12 ' A' ' 42' ' ' LEU . 17.9 mt-30 -53.82 -32.07 51.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 3.0 pt20 -53.12 -39.67 63.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -73.51 -39.95 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.37 157.7 21.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.541 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.37 144.21 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.798 HD12 ' HG3' ' A' ' 37' ' ' GLN . 14.6 mt -110.8 111.48 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -57.61 -54.69 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -152.1 130.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.95 111.9 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -123.75 131.19 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -117.79 120.61 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 59' ' ' CYS . 4.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.64 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.9 m -132.97 174.3 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -155.09 153.81 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 20.8 m-85 -119.31 135.19 54.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.21 167.43 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' NE2' ' CD2' ' A' ' 44' ' ' TYR . 4.5 tt0 -135.74 143.71 45.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.893 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 9.4 m-85 -105.41 171.89 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.0 mmt -95.39 -21.38 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 38.6 p -137.6 130.08 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.83 -53.97 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -48.5 -35.84 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.1 -64.3 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.65 -46.59 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.38 -41.77 94.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -61.85 -25.04 67.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.784 ' SG ' HD22 ' A' ' 36' ' ' LEU . 5.2 t -79.94 -35.18 38.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 95' ' ' VAL . 41.3 mt -68.42 -65.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.34 -27.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.87 -31.45 17.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.07 -28.56 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -142.39 138.59 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.9 tp -115.13 101.3 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 73.26 25.31 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.48 34.19 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.31 129.59 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -73.98 107.86 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 88' ' ' LEU . 6.0 mt -83.93 125.48 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -97.9 102.23 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.8 t -99.47 123.65 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.092 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.29 144.68 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 99.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.22 163.81 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 3.6 mttp -122.28 118.52 28.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 44.2 m -140.03 162.98 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.584 ' N ' HG22 ' A' ' 17' ' ' THR . 7.5 m -157.04 118.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 14.1 t80 -112.48 124.26 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.1 mp -95.88 134.66 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -119.88 149.52 41.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.68 45.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.8 mt -80.68 150.31 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -98.53 136.53 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.18 -39.2 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.84 -26.7 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.554 ' HB2' HD23 ' A' ' 88' ' ' LEU . 40.7 t -62.17 168.66 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -147.17 134.9 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.818 ' HG2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.67 -48.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.1 -59.28 5.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.25 -56.05 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.0 tt -39.43 -52.25 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.67 -58.8 11.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -40.86 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.9 t -76.88 -48.67 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD11 ' A' ' 42' ' ' LEU . 52.7 mt -71.89 -28.37 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.671 ' CG ' HD12 ' A' ' 42' ' ' LEU . 37.7 mt-30 -54.38 -33.78 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -45.61 -42.75 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -74.45 -41.04 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.53 152.19 18.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.25 116.14 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -75.45 125.01 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.489 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 16.8 tptp -64.15 -42.43 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -158.82 144.35 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 29' ' ' GLU . 2.8 p -130.36 118.84 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -135.93 136.25 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.7 p -119.62 121.73 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 59' ' ' CYS . 5.8 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.668 ' O ' HG12 ' A' ' 48' ' ' VAL . 32.0 p -160.61 155.91 24.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -150.59 155.08 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 42.3 m-85 -118.69 137.07 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.33 178.31 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.62 ' O ' HD23 ' A' ' 42' ' ' LEU . 27.6 tt0 -146.21 153.86 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 15.9 m-85 -114.77 170.24 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.489 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 5.1 mmt -85.71 -29.08 24.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.466 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 58.7 p -138.05 135.5 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 72.1 mt-30 -40.9 -53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.54 -44.78 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -54.39 -55.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.69 -48.18 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.72 -39.82 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.35 -33.7 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.8 t -67.85 -35.84 79.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.71 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.45 -33.59 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -30.28 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.66 9.41 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 -179.752 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -143.13 128.82 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.735 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -116.65 105.73 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 69.34 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.48 78.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -136.09 123.7 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -70.88 106.89 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 88' ' ' LEU . 12.2 mt -80.78 132.57 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -108.14 102.4 11.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -96.33 133.09 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.64 144.44 30.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.77 103.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.731 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.83 -178.58 6.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 66' ' ' THR . 4.4 mttp -129.72 118.67 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.723 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 84.4 m -139.87 161.11 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.4 m -154.63 118.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.697 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 43.5 t80 -110.67 124.3 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -99.23 129.88 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 41.0 mtm180 -116.46 148.39 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 72.83 49.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' CA ' ' A' ' 59' ' ' CYS . 36.4 mt -85.27 160.81 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 p -100.12 136.07 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.73 -45.57 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.02 -36.48 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 p -43.29 151.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -139.0 138.4 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 14.1 tt0 -38.6 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -69.11 -60.31 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.97 -52.31 65.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -45.32 -53.14 8.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.35 -59.01 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -40.61 -24.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -77.11 -51.75 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.1 mt -69.43 -27.95 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.707 ' HG3' HD12 ' A' ' 42' ' ' LEU . 32.3 mt-30 -53.77 -41.48 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -38.35 -42.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -75.66 -48.91 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.36 154.65 25.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.02 122.48 11.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -81.06 125.05 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -68.0 -44.39 76.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -159.6 129.42 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -119.37 111.6 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.23 137.75 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -118.7 121.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.9 p -147.38 167.24 24.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -158.07 155.78 29.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.5 m-85 -119.47 133.2 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 171.62 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.36 142.25 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.83 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 20.5 m-85 -102.41 171.87 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mmt -89.53 -25.61 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.9 p -133.51 138.82 46.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -48.65 -50.47 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -50.9 -38.07 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.7 -60.39 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.41 32.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.07 -46.48 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -58.53 -31.52 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.747 ' SG ' HG11 ' A' ' 95' ' ' VAL . 7.1 t -72.96 -31.75 64.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 93.3 mt -67.41 -65.92 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -26.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.37 22.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.85 -37.29 59.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.77 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.871 0.367 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -147.71 132.24 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.582 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.4 tp -116.86 99.22 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.6 27.63 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.35 25.84 35.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -126.5 120.62 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.42 120.29 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mt -94.25 132.14 39.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -110.05 102.6 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.747 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.0 t -97.48 127.21 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.9 t70 -141.59 142.91 33.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 100.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.723 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.32 -176.7 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 3.8 mttp -126.75 118.68 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.77 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 54.7 m -139.77 160.72 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.615 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.8 m -154.45 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.747 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 52.2 t80 -112.7 121.98 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 32' ' ' LEU . 3.1 mp -95.86 138.66 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 26.2 mtp180 -121.69 158.77 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t30 66.52 37.77 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.683 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.4 mt -70.25 148.8 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -93.2 138.72 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -53.05 -22.9 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.96 -35.99 59.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 48.2 t -49.77 162.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 143.83 23.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' CG ' HG22 ' A' ' 45' ' ' VAL . 15.4 tt0 -38.85 -40.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -58.29 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -61.24 -57.02 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -39.31 -58.82 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.98 -48.1 81.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.76 -19.32 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' ALA . 58.7 t -87.29 -32.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.811 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.3 mt -88.52 -19.03 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.81 ' CG ' HD12 ' A' ' 42' ' ' LEU . 27.0 mt-30 -67.49 -28.43 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -49.84 -43.88 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -69.18 -49.41 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.87 179.77 38.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.98 127.56 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.7 mt -89.96 119.34 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' ' NE2' ' A' ' 63' ' ' GLN . 17.8 tptm -61.25 -46.09 91.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -162.97 135.32 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.408 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.2 p -120.65 112.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.33 134.64 52.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 60' ' ' ALA . 3.8 p -118.13 126.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.683 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.0 p -156.81 166.32 33.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -150.49 164.92 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.747 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 48.7 m-85 -128.84 133.6 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -133.76 171.82 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 43' ' ' LYS . 3.7 tt0 -139.65 138.33 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.914 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -97.85 171.89 8.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mtp -95.07 -20.05 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.424 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 9.2 p -135.95 129.51 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.25 -50.07 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 12.5 tp10 -50.59 -40.74 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.914 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.13 -63.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.03 -43.63 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.67 -37.12 85.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 67.6 mttt -68.89 -23.91 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.36 -35.55 27.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 60.9 mt -67.32 -61.21 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.02 -33.21 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.06 -28.33 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.08 -12.01 59.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.823 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -147.47 148.01 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -129.99 97.85 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.95 40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.95 13.89 82.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -114.74 128.3 56.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -71.84 113.3 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 88' ' ' LEU . 32.7 mt -83.85 106.82 15.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -90.72 102.62 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 18.4 t -100.45 130.15 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 11.6 t70 -141.79 144.56 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.92 100.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.77 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -82.76 -178.6 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -153.91 174.76 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -164.09 128.94 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.08 -110.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p 53.09 40.97 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -90.5 166.3 13.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.21 141.31 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -88.6 150.9 47.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 125.77 12.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -109.87 108.62 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.3 170.83 9.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -102.25 131.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -136.68 166.12 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -79.3 93.27 5.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -135.34 45.29 1.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.4 mttp -121.88 119.1 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.718 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.0 m -139.49 162.29 35.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.769 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.2 m -156.15 118.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 57.6 t80 -110.89 126.53 54.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 32' ' ' LEU . 2.6 mp -99.56 132.52 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 36.6 mtp180 -118.67 158.02 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.1 t30 64.56 39.63 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CA ' ' A' ' 59' ' ' CYS . 35.3 mt -72.67 150.21 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 15.2 t -97.92 144.73 27.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -48.88 -30.63 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.74 -32.06 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.8 t -56.4 141.9 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.38 150.53 44.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.53 -37.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.84 -59.1 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.98 -57.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -39.14 -58.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.36 -49.21 65.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.48 -17.74 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' ALA . 82.3 t -85.96 -31.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.693 ' HB2' HD11 ' A' ' 42' ' ' LEU . 46.1 mt -96.22 -8.62 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.782 ' HG3' HD12 ' A' ' 42' ' ' LEU . 12.7 mt-30 -73.17 -34.11 65.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -47.43 -45.36 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.14 -43.36 92.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.65 175.46 45.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.38 131.81 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 37' ' ' GLN . 13.6 mt -96.09 126.3 41.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -69.24 -49.43 56.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -159.25 136.72 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.08 112.21 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -126.9 135.29 50.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.75 114.88 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 59' ' ' CYS . 7.2 p -59.04 143.33 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -120.53 159.7 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 1.9 t-80 -56.39 140.65 72.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 53.4 Cg_endo -69.79 -30.13 22.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -80.23 -61.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 55' ' ' HIS . 5.8 t -117.56 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.14 35.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.609 ' H ' HG23 ' A' ' 53' ' ' THR . 22.9 m170 -75.39 121.17 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.1 m -60.34 100.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HD3' HG22 ' A' ' 48' ' ' VAL . 17.6 mtpp -59.99 151.1 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.2 45.9 2.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.661 ' CA ' HD12 ' A' ' 23' ' ' LEU . 1.7 p -161.65 144.2 11.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.51 156.46 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 49.9 m-85 -122.92 134.15 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.769 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.14 171.23 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.2 tt0 -141.34 141.15 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.897 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 14.7 m-85 -101.74 170.53 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtp -92.67 -17.3 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.42 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.4 p -139.97 139.82 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.77 -48.13 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.03 -36.51 60.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.897 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.68 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.84 -44.6 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.33 -38.36 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -63.92 -28.88 70.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.949 ' SG ' HG11 ' A' ' 95' ' ' VAL . 14.5 t -73.17 -39.72 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -60.21 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.6 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -89.61 -36.34 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -75.76 -11.97 60.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -90.34 96.34 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -52.36 -21.57 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 80' ' ' GLU . 5.4 tm-20 -71.28 -44.58 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.24 171.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.37 101.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.12 72.01 0.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.96 -137.33 4.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.62 116.87 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 77' ' ' ALA . 9.5 mp -102.32 155.19 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -145.39 140.58 27.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.1 tp -137.43 109.11 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.38 41.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.96 30.62 72.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 29.7 mtt180 -142.28 122.27 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -59.96 149.19 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 88' ' ' LEU . 20.4 mt -118.26 129.61 55.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -107.26 104.66 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.949 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -100.3 123.1 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -137.51 144.38 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.08 100.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.31 -179.92 7.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.9 p -161.08 139.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 p -90.99 89.11 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -94.05 150.2 20.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -122.74 101.47 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.3 99.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -173.03 125.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -166.49 157.66 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.3 p -96.05 137.74 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -96.49 144.45 17.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.88 26.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 m -66.68 173.64 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.5 p -129.02 170.36 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -97.74 91.76 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -64.56 -58.75 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -162.67 -128.79 0.97 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' GLY . 75.1 p 35.02 42.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -86.61 -57.2 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.83 64.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 pp -46.84 144.05 3.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.9 4.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -91.22 -51.9 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.98 141.69 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 13' ' ' THR . 34.8 m -115.07 -42.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 12' ' ' VAL . 39.3 m -38.51 144.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -92.98 86.53 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.86 44.85 1.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 66' ' ' THR . 6.2 mttp -119.57 118.32 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.65 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 30.3 m -140.12 162.26 35.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.956 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 10.9 m -157.84 118.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 41.6 t80 -112.01 123.41 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.44 134.92 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -121.66 149.69 42.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t30 71.21 50.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 59' ' ' CYS . 42.9 mt -76.97 165.61 24.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 144.26 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -61.66 -16.69 50.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.6 -25.97 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.3 m -61.66 151.5 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLU . 9.3 mt-10 -141.6 147.49 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' GLU . 15.2 tt0 -34.48 -39.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.96 -47.64 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.7 tt -49.31 -54.9 14.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -62.68 -55.17 28.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -42.66 -24.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG21 HD13 ' A' ' 88' ' ' LEU . 78.4 t -78.33 -57.76 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.974 ' HB2' HD11 ' A' ' 42' ' ' LEU . 51.3 mt -61.35 -31.93 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 42' ' ' LEU . 27.7 mt-30 -55.22 -14.49 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 4.4 pt20 -64.2 -44.71 91.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.545 ' HE1' HD21 ' A' ' 86' ' ' LEU . 78.4 m-85 -75.04 -37.77 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.33 154.3 15.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.3 158.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.4 mt -122.91 113.84 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -53.35 -50.37 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -158.6 141.04 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.31 105.55 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -118.36 136.66 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.3 p -117.24 120.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 p -62.32 117.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' SER . 15.6 mt -121.64 161.95 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -57.5 139.36 80.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.2 Cg_endo -69.79 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -131.03 -53.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -95.91 176.7 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.25 41.26 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.66 144.48 25.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HA ' HD23 ' A' ' 49' ' ' LEU . 2.2 m -80.57 110.59 16.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -49.36 -37.91 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.13 14.53 3.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.583 ' CA ' HD12 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -157.63 159.35 36.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.9 155.01 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -114.71 134.14 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.956 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -131.51 166.37 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.4 tt0 -139.82 120.52 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 12.0 m-85 -80.05 163.79 23.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mmm -83.71 -17.99 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.477 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 19.1 p -141.65 149.41 40.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -58.7 -45.43 89.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.59 -40.61 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.03 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -43.43 -48.64 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -56.95 -48.43 78.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.59 -21.65 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.853 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.7 t -86.63 -24.84 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 96' ' ' ASP . 52.5 mt -78.11 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.07 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 86' ' ' LEU . . . -86.58 -21.85 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . . . -84.13 -37.25 22.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -79.78 108.6 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.62 -29.2 36.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 81' ' ' ALA . 11.9 pt-20 -72.02 -46.79 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 80' ' ' GLU . . . -58.95 -177.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.91 168.76 12.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.47 -68.3 2.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.02 -145.16 12.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.51 145.99 17.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD21 ' HE1' ' A' ' 39' ' ' PHE . 9.2 mp -87.33 152.18 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -147.04 128.04 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.925 ' HB2' HD11 ' A' ' 93' ' ' LEU . 13.5 tp -107.49 99.9 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 74.87 47.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.91 15.12 64.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -115.57 124.06 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -64.84 133.94 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 88' ' ' LEU . 11.4 mt -114.7 142.98 45.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -113.83 102.49 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' SG ' ' A' ' 73' ' ' CYS . 32.5 t -98.99 127.65 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HA ' HD22 ' A' ' 74' ' ' LEU . 35.6 t70 -142.23 144.46 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.84 99.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -83.95 179.22 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.14 138.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 102.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -122.62 143.1 49.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.75 115.9 31.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 101.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.38 144.07 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.67 166.37 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -129.09 149.98 50.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -163.53 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 111.2 2.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.5 p -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.4 m -161.31 137.35 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -121.57 106.77 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -170.25 161.11 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 143.33 3.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -78.03 165.56 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -68.35 -67.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.34 85.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -55.03 151.15 17.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.0 p -162.41 134.28 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.72 ' OD1' HG23 ' A' ' 13' ' ' THR . 6.2 t0 -66.46 118.77 10.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 13' ' ' THR . 7.2 p -112.59 -43.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.72 HG23 ' OD1' ' A' ' 11' ' ' ASP . 43.4 p 41.7 51.8 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -160.51 166.76 28.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.31 29.64 3.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.6 mttp -117.42 118.67 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.1 m -139.83 161.3 37.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.716 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.5 m -152.96 122.0 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.694 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 45.9 t80 -114.63 119.82 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.5 mp -94.58 136.4 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -122.07 159.8 26.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 t30 63.86 53.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 59' ' ' CYS . 44.4 mt -89.88 159.57 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' SER . 7.7 t -98.37 132.06 44.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -39.9 -46.4 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' SER . 2.4 p30 -56.18 -38.65 71.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.5 p -36.76 149.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.92 142.6 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.68 -42.22 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.68 -58.06 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -58.11 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.754 ' C ' HD23 ' A' ' 32' ' ' LEU . 3.8 tt -38.71 -53.66 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 35' ' ' VAL . . . -65.13 -55.23 22.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -45.9 -21.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' GLY . 41.9 t -80.89 -43.43 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.97 ' HB2' HD11 ' A' ' 42' ' ' LEU . 42.8 mt -75.99 -37.53 58.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.733 ' HG2' HD12 ' A' ' 42' ' ' LEU . 27.6 mt-30 -46.06 -35.59 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -48.97 -36.48 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.94 -44.29 27.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.22 157.8 29.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -52.15 123.87 11.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 36' ' ' LEU . 11.7 mt -88.02 130.94 34.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 19.7 tptp -73.96 -46.18 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -157.37 145.24 18.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -130.9 117.51 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -133.03 132.33 41.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.93 109.13 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 7.2 p -59.68 122.31 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.28 164.77 11.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -56.53 136.91 76.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.9 Cg_endo -69.76 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -129.41 -57.39 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -98.09 175.48 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -87.42 -20.3 26.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -53.66 149.78 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 m -61.21 154.35 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -81.0 -39.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . 137.16 -1.2 3.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.619 ' CA ' HD12 ' A' ' 23' ' ' LEU . 2.2 m -153.89 168.58 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.713 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.29 158.42 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.694 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 77.7 m-85 -120.93 137.55 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -139.4 171.09 14.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.512 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.0 tt0 -139.11 148.32 43.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.943 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.4 m-85 -109.42 171.78 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.479 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 mmt -95.21 -21.71 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 24.6 p -134.07 128.58 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -40.96 -52.8 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.18 -38.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -52.63 -65.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.11 -43.29 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -65.17 -43.89 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -61.57 -22.58 65.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.922 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.0 t -79.6 -33.76 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ALA . 33.6 mt -68.64 -65.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -39.47 -31.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.03 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.05 -19.15 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -105.14 102.83 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -54.51 -15.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.684 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 tp10 -73.56 -36.88 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -70.02 -179.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -95.73 72.24 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.59 -73.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.8 100.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.14 140.19 1.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.75 145.38 25.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -142.66 137.7 30.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 93' ' ' LEU . 6.8 tp -120.78 101.07 7.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.67 26.96 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.69 40.16 6.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -148.06 121.19 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.24 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 88' ' ' LEU . 14.6 mt -99.89 103.3 14.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.922 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.9 t -100.6 128.89 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -140.87 143.12 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.75 99.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.756 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -81.93 -177.92 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.8 t -137.54 115.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -72.1 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -63.86 107.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.94 129.89 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -103.29 68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.64 107.46 18.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.39 104.25 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -115.48 98.89 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.51 -91.49 2.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -121.05 177.96 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -89.33 -53.8 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -98.16 143.69 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -73.8 -48.01 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.49 179.33 13.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -162.57 163.25 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -127.49 142.82 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.88 35.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.4 pt? -71.9 149.38 92.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 m -47.93 125.28 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.7 166.66 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.93 -25.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 m -61.68 145.86 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -73.2 90.3 1.58 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.71 44.76 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.4 mttp -123.09 118.48 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.661 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 29.5 m -140.0 162.52 34.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.5 m -155.92 118.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.722 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 24.4 t80 -110.3 129.38 55.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.36 129.69 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -120.03 155.03 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.43 43.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 59' ' ' CYS . 34.9 mt -78.88 150.74 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 p -85.58 139.46 31.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -56.58 -13.58 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -92.66 -26.85 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.503 ' HB2' HD23 ' A' ' 88' ' ' LEU . 28.1 t -54.0 151.92 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' GLU . 25.4 mt-10 -136.54 142.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.7 tt0 -36.3 -41.2 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.1 -65.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -50.7 -36.02 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.1 tt -65.31 -52.71 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.31 -45.76 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.74 -19.3 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' ALA . 70.8 t -83.12 -44.56 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.919 ' HB2' HD11 ' A' ' 42' ' ' LEU . 22.0 mt -77.03 -25.27 52.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.621 ' CG ' HD12 ' A' ' 42' ' ' LEU . 19.2 mt-30 -58.18 -31.12 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -51.41 -37.13 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.62 -43.29 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.02 168.89 42.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.43 119.9 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.4 mt -81.52 124.66 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.87 -46.08 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -163.04 136.63 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.5 p -124.86 112.52 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -123.15 138.18 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -117.78 124.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.0 p -71.97 126.45 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -117.27 163.45 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.3 t-80 -57.24 137.15 81.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.75 4.3 2.27 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.377 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -117.63 -52.51 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 55' ' ' HIS . 10.4 t -121.69 164.95 16.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -81.96 44.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' HB2' HG23 ' A' ' 53' ' ' THR . 4.2 m170 -102.88 127.33 50.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.6 m -51.81 134.09 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -77.25 -18.09 57.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 17.03 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.731 ' C ' HD12 ' A' ' 23' ' ' LEU . 25.0 p -161.45 168.71 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.24 156.89 19.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 74.4 m-85 -120.47 138.59 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.61 173.9 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 7.8 tt0 -142.4 143.66 32.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 10.8 m-85 -103.84 162.64 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mmt -81.67 -24.74 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.4 p -133.6 132.71 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -50.95 -36.99 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.48 -24.88 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.0 -51.78 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -53.38 -40.23 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -66.32 -42.86 87.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -61.09 -29.57 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.802 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.3 t -71.03 -43.9 66.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' ALA . 52.2 mt -57.37 -66.02 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.45 -32.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.69 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.95 -29.39 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t -97.11 117.18 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 80' ' ' GLU . 0.2 OUTLIER -66.06 -13.74 60.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.507 ' N ' HD12 ' A' ' 79' ' ' LEU . 2.7 pt-20 -95.72 7.51 46.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.22 174.77 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 9.0 mp0 -59.16 124.03 18.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.44 -73.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.75 -159.15 29.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.96 148.08 16.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 9.5 mp -92.7 151.67 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -146.33 138.34 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.9 tp -125.27 110.44 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.94 39.2 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.53 76.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -121.33 129.78 53.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -74.01 114.67 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 88' ' ' LEU . 49.5 mt -83.29 134.66 34.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.83 102.62 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.802 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.5 t -98.94 127.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -143.5 142.54 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.01 -176.25 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p -117.76 144.53 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 p -117.56 128.1 54.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -101.62 107.49 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.0 119.7 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.93 84.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.42 120.61 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -129.82 114.0 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 105' ' ' ALA . 82.7 p -35.49 105.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.98 70.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -9.68 26.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m 49.93 46.77 24.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.801 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.2 t -101.95 91.02 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -53.86 -56.26 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -148.35 117.7 6.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.56 144.69 16.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -125.32 100.54 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -62.6 -46.74 86.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.72 94.02 2.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -42.21 150.38 0.39 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 95.91 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 t -159.72 168.11 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -97.28 120.22 37.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.31 138.81 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -134.39 172.12 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -106.23 85.32 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.76 47.55 1.01 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 66' ' ' THR . 10.4 mttt -120.77 118.2 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.615 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 40.1 m -140.37 161.48 37.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 16.1 m -158.0 123.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 59' ' ' CYS . 46.0 t80 -115.6 120.72 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.598 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.6 mp -94.43 134.12 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 46.1 mtm180 -120.46 151.99 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 71.93 42.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' C ' ' A' ' 59' ' ' CYS . 56.6 mt -77.67 158.91 29.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.13 143.14 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 55' ' ' HIS . 14.1 m-85 -55.48 -37.45 67.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.3 -36.0 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.1 t -49.22 147.65 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -131.6 155.17 47.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -51.1 -38.55 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -63.78 -51.98 62.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -63.75 -55.85 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -43.82 -51.6 7.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.9 45.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -52.17 -16.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' ALA . 93.2 t -84.43 -45.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.822 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.7 mt -75.19 -29.59 60.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.714 ' HG3' HD12 ' A' ' 42' ' ' LEU . 24.5 mt-30 -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -47.48 -32.08 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -84.7 -45.96 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.84 164.16 37.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.73 131.56 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 12.7 mt -94.34 112.41 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -55.59 -46.29 77.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HE2' HE21 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -163.96 145.33 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -132.2 115.1 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.94 131.09 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.1 p -116.71 112.57 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.06 143.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -117.59 158.27 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 t-80 -63.63 140.89 97.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.84 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.0 Cg_endo -69.75 -33.25 17.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -75.03 -53.02 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 54' ' ' GLU . 3.6 t -128.91 177.83 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' N ' ' OG1' ' A' ' 53' ' ' THR . 24.7 mt-10 -85.69 28.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 8.8 m170 -71.54 111.14 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -52.47 106.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -49.1 159.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.1 31.72 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.586 ' C ' HD12 ' A' ' 23' ' ' LEU . 16.2 p -160.99 155.96 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.42 162.56 38.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 22.2 m-85 -119.69 139.77 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.48 168.73 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.498 HE21 ' HE2' ' A' ' 44' ' ' TYR . 4.1 tt0 -142.02 123.49 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.1 m-85 -82.85 171.51 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -97.84 -4.44 36.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.478 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 20.3 p -150.88 136.07 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -49.99 -46.89 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.12 -47.52 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -47.89 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.3 -51.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -60.86 -41.72 96.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -63.07 -24.61 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.759 ' SG ' HG11 ' A' ' 95' ' ' VAL . 4.4 t -78.88 -36.59 41.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.97 -26.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.06 -33.88 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.71 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -90.97 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 80' ' ' GLU . 2.3 pt? -50.14 -40.82 47.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 11.2 pt-20 -51.72 -41.02 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.21 19.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -58.8 113.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.27 -91.69 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.06 174.08 43.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.05 156.76 16.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp -85.62 145.03 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -146.65 134.42 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.785 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.7 tp -120.55 109.49 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.96 39.27 13.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.78 28.87 62.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -126.71 124.79 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.717 0.294 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -71.3 106.78 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 88' ' ' LEU . 15.2 mt -79.61 123.83 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -105.39 102.28 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.759 HG11 ' SG ' ' A' ' 73' ' ' CYS . 38.9 t -97.23 126.38 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 143.09 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.02 99.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -87.04 -175.62 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.1 p -145.74 140.87 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.0 m -82.69 117.46 22.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -158.91 143.21 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -41.61 126.22 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -125.5 42.15 3.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.51 94.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.37 140.48 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.064 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -113.91 163.88 14.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.96 83.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 131.93 22.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -145.69 140.16 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 111' ' ' GLY . 34.3 t -141.2 156.54 45.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 110' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -150.52 160.99 43.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -67.39 149.36 50.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.5 74.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -52.05 -50.39 61.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -56.9 -53.89 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.41 148.98 22.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -49.33 144.0 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.92 22.2 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -82.18 131.76 35.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.66 163.07 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.84 119.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -140.16 140.04 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -77.24 51.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.07 48.5 0.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 66' ' ' THR . 10.1 mttt -122.31 118.92 29.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.632 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.1 m -139.53 162.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.634 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.6 m -156.37 118.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.739 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 37.0 t80 -112.63 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp -95.43 141.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.26 156.13 43.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t30 65.76 45.91 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.74 HD12 ' CA ' ' A' ' 59' ' ' CYS . 43.7 mt -78.1 157.04 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 14.9 t -101.19 142.16 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -49.34 -37.62 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 89' ' ' ASP . 4.1 t70 -61.45 -30.74 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.5 t -54.47 155.14 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.3 mt-10 -154.56 139.89 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 28' ' ' GLU . 14.6 tt0 -34.58 -42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -55.4 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.614 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -66.89 -56.29 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -43.32 -51.54 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.2 -57.32 15.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -44.6 -23.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.0 t -76.46 -51.13 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 42' ' ' LEU . 36.4 mt -68.86 -33.65 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 42' ' ' LEU . 30.7 mt-30 -50.23 -29.25 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -51.19 -47.27 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 85.9 m-85 -66.75 -50.74 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.38 172.93 39.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.24 133.0 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 36' ' ' LEU . 22.3 mt -96.94 122.19 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.6 -46.75 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -161.22 132.15 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.51 109.46 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -121.91 135.4 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.36 114.9 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.5 131.31 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 56' ' ' SER . 61.0 mt -127.36 164.35 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -58.91 134.54 87.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.32 -45.09 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 55' ' ' HIS . 1.8 t -126.14 174.74 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.42 43.92 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.499 ' N ' HG23 ' A' ' 53' ' ' THR . 4.0 m170 -94.49 129.19 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 49' ' ' LEU . 14.1 t -65.98 108.77 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -46.3 -39.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.69 14.46 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.74 ' CA ' HD12 ' A' ' 23' ' ' LEU . 15.9 p -159.28 166.91 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -159.29 156.86 29.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 68.6 m-85 -120.06 134.62 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.634 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.27 168.18 19.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -138.86 136.21 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -96.34 169.93 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 mtp -93.79 -14.65 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 50.9 p -140.75 138.9 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.14 -46.08 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 9.5 tp10 -52.11 -36.02 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -59.49 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.68 -44.36 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.1 -41.57 90.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 56.2 mttt -64.46 -25.14 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.569 ' SG ' HG11 ' A' ' 95' ' ' VAL . 18.7 t -77.59 -34.83 53.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -67.32 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.15 -26.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . -88.14 -30.57 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -38.64 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 1.1 t -65.68 117.51 8.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -67.6 -16.68 64.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 79' ' ' LEU . 3.1 pp20? -91.58 -33.75 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 78' ' ' SER . . . -69.39 142.76 53.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -44.58 141.48 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 116.8 -65.12 0.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.4 126.88 2.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.14 154.41 15.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 76' ' ' ALA . 8.1 mp -94.15 151.16 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.888 0.375 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -138.83 136.81 36.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.741 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.7 tp -123.07 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 4.7 m-20 61.81 32.35 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.71 40.12 27.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.442 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 11.3 mtt-85 -147.72 122.13 9.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -56.82 145.02 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.4 mt -117.41 136.79 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -115.0 107.34 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.569 HG11 ' SG ' ' A' ' 73' ' ' CYS . 46.2 t -104.47 129.22 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -141.09 145.12 35.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 99.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.33 -175.02 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.8 p -152.69 126.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 57.7 m -101.71 90.34 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 15.9 ttp-105 -144.74 126.12 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -68.93 134.58 49.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -110.35 46.62 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.44 39.3 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.78 -55.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 p -65.6 83.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.63 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 114.6 3.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 p -100.53 122.45 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.4 m -68.37 170.79 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -166.51 173.58 9.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -132.69 -47.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.49 86.63 0.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -164.14 158.42 19.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -113.7 90.29 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.1 169.53 3.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.65 144.37 28.52 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.1 25.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . 64.9 p -100.48 -57.89 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' SER . 1.2 m-20 -35.44 109.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.29 142.25 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -163.27 150.96 13.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.6 53.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.17 45.95 1.27 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -120.71 118.69 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.629 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 24.1 m -139.87 160.97 38.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.173 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 18' ' ' VAL . 7.7 m -156.58 118.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.8 t80 -111.44 125.36 53.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.602 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.7 mp -96.48 138.62 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 14.2 mtp180 -124.05 156.94 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 t30 68.11 40.81 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.671 HD12 ' CA ' ' A' ' 59' ' ' CYS . 40.8 mt -75.16 146.86 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -86.01 142.47 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 55' ' ' HIS . 3.9 t80 -50.18 -35.2 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -68.51 -36.39 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' ASP . 15.6 p -35.1 147.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' GLU . 46.0 mt-10 -141.77 135.17 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLU . 24.0 tt0 -36.78 -44.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.18 -60.71 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.09 -56.73 18.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.5 tt -41.36 -50.91 3.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.33 -55.91 24.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -47.33 -22.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -79.14 -37.88 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.761 ' HB2' HD11 ' A' ' 42' ' ' LEU . 31.0 mt -85.86 -24.04 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.556 ' HG3' HD12 ' A' ' 42' ' ' LEU . 45.1 mt-30 -59.02 -30.96 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 1.9 pt20 -48.89 -47.33 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 82.7 m-85 -69.25 -54.68 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.67 169.69 33.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.44 121.09 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 36' ' ' LEU . 17.3 mt -78.25 118.21 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -60.9 -38.86 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -166.74 132.35 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.8 p -119.15 115.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -133.87 129.81 36.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.77 124.01 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.8 p -60.73 115.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 56' ' ' SER . 9.1 mt -105.59 163.64 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.0 t-80 -57.71 133.07 82.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.545 0.688 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.9 Cg_endo -69.79 5.32 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.03 -47.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 t -121.0 154.59 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -80.1 62.38 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 19.9 m-70 -131.09 140.39 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.447 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.2 t -49.93 156.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -102.66 -47.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.99 -17.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.671 ' CA ' HD12 ' A' ' 23' ' ' LEU . 13.4 m -145.09 168.57 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.75 161.83 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -124.17 137.88 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.34 170.11 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -138.27 148.24 44.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -108.77 171.84 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mtp -96.29 -14.17 22.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -138.93 140.0 38.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.5 -47.56 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -52.96 -37.97 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -52.39 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.43 -50.4 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -57.87 -48.52 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -56.56 -27.19 57.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.727 ' SG ' HG11 ' A' ' 95' ' ' VAL . 11.8 t -78.34 -35.23 47.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.36 -62.31 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.04 -29.38 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 -38.4 22.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -34.74 74.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t -78.96 101.08 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HA ' ' N ' ' A' ' 85' ' ' GLY . 2.4 pt? -47.29 -38.35 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 3.5 tp10 -55.74 -55.04 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -50.21 130.06 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 81' ' ' ALA . 5.4 mt-10 33.68 42.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLU . . . 35.29 57.53 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -153.18 111.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.478 ' N ' ' HA ' ' A' ' 79' ' ' LEU . . . -129.8 147.62 18.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.57 144.98 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -141.07 129.7 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.612 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.1 tp -115.11 99.77 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.67 33.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.23 20.17 63.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -120.32 126.0 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 111.68 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 88' ' ' LEU . 40.9 mt -80.46 111.97 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -92.55 105.15 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.6 t -101.24 127.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.64 144.84 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 99.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.46 179.84 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.39 126.57 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -101.19 91.86 4.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -146.66 144.61 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -116.5 126.79 53.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.31 51.86 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.03 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.95 -50.96 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.3 t -143.7 140.24 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.61 -70.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.24 6.61 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 m -121.74 134.06 54.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.3 t -43.22 -58.34 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 45.39 40.13 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.385 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m -120.21 115.77 24.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.12 41.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -49.79 100.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -84.32 162.37 20.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.17 172.67 23.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.1 pp -62.17 137.7 95.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 154.88 67.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.6 m -119.78 -57.27 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -46.1 106.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.47 -49.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -45.96 159.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -59.77 99.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.42 32.81 4.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 67' ' ' GLN . 4.6 mttp -118.3 118.33 31.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.763 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.7 m -140.0 161.24 38.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.778 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.6 m -152.84 119.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.619 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 48.2 t80 -112.74 124.98 53.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -98.6 134.39 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 37.3 mtp180 -118.46 149.28 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 t30 72.17 49.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 59' ' ' CYS . 38.9 mt -82.55 150.74 26.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -90.47 139.72 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.19 -41.27 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.57 -30.15 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 p -45.63 152.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.1 mt-10 -139.37 136.51 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLU . 17.6 tt0 -37.22 -44.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.57 -57.67 11.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.78 -51.95 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -45.19 -54.8 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.63 90.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -51.35 -22.12 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' CG1' HD23 ' A' ' 86' ' ' LEU . 86.2 t -80.62 -51.39 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' SG ' ' A' ' 73' ' ' CYS . 28.2 mt -71.31 -22.82 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' CG ' HD12 ' A' ' 42' ' ' LEU . 11.9 mt-30 -56.63 -23.79 43.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 5.7 pt20 -65.69 -32.22 73.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 68.1 m-85 -94.08 22.58 5.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.68 155.51 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.74 141.47 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -100.53 129.99 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -72.67 -50.07 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -151.98 135.57 16.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -124.68 109.38 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -124.16 135.33 53.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 60' ' ' ALA . 6.4 p -115.86 110.89 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.3 p -60.67 136.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.96 164.81 12.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -56.64 138.86 76.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.886 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.4 Cg_endo -69.83 3.27 2.9 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -132.95 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -86.61 170.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -102.8 37.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -99.1 -175.48 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.2 t -95.77 110.39 22.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -59.23 159.12 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.48 36.63 2.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.654 ' C ' HD12 ' A' ' 23' ' ' LEU . 1.3 p -161.74 147.66 13.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -152.76 159.74 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 57.7 m-85 -121.89 135.26 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.4 177.86 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.1 tt0 -148.51 139.85 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 13.9 m-85 -101.2 171.99 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 mmt -82.5 -33.81 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 27.0 p -132.6 143.11 49.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.469 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 93.9 mt-30 -47.45 -52.27 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -46.07 -41.76 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.8 -60.83 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -45.77 -35.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.52 -40.36 80.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -64.33 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.868 ' SG ' HD22 ' A' ' 36' ' ' LEU . 10.4 t -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 48.8 mt -68.58 -68.48 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -74.38 -31.84 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.21 -33.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 104.27 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -57.78 -27.0 62.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.57 -50.52 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -45.04 165.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.12 45.02 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.12 -57.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.45 -172.96 30.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.94 141.9 13.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD23 ' CG1' ' A' ' 35' ' ' VAL . 8.3 mp -95.0 145.97 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -141.25 128.93 21.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.694 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.3 tp -116.05 131.94 56.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 48.6 29.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.04 34.71 32.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -138.7 129.23 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.06 139.91 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 88' ' ' LEU . 19.6 mt -113.36 132.81 55.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -109.83 105.32 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.852 HG11 ' SG ' ' A' ' 73' ' ' CYS . 27.8 t -97.53 131.41 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 23.3 t0 -145.43 142.55 29.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.6 99.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.763 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -80.82 176.92 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 99' ' ' VAL . 7.8 p -159.44 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.6 m -56.21 119.63 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 115.95 21.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.96 97.97 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.62 83.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -162.97 167.12 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.52 138.91 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -111.88 92.42 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.48 83.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 127.41 14.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -59.96 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.4 t -94.46 134.48 36.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -141.98 140.48 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -129.81 106.5 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.88 76.82 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -121.51 102.9 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -167.46 112.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.91 85.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.7 pp -69.07 147.17 97.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.0 66.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 m -86.56 134.99 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -172.0 144.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 12' ' ' VAL . 34.1 m -80.37 125.95 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -167.66 143.5 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.57 92.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -123.4 43.46 1.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.8 mttp -121.26 118.37 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.651 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.2 m -140.15 162.74 34.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.713 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.6 m -158.12 118.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 27.2 t80 -111.74 124.8 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.95 134.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 45.4 mtp85 -120.09 150.79 40.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.76 53.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CA ' ' A' ' 59' ' ' CYS . 62.9 mt -94.52 151.93 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 145.19 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.35 -40.07 70.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 27' ' ' SER . 2.3 p30 -60.05 -37.47 79.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.451 ' HB2' HD23 ' A' ' 88' ' ' LEU . 41.4 t -47.61 139.16 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' GLU . 16.4 mt-10 -120.73 141.89 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLU . 10.1 tt0 -37.17 -33.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.6 mt-10 -72.82 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -49.56 -32.53 12.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.4 tt -70.6 -51.81 25.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.98 94.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -53.58 -23.98 12.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 31' ' ' ALA . 20.6 t -78.81 -40.6 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 42' ' ' LEU . 57.5 mt -78.67 -28.47 45.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 42' ' ' LEU . 24.6 mt-30 -57.73 -37.51 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -44.24 -33.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -80.54 -53.55 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.55 162.38 34.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.2 131.19 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.6 mt -95.47 130.1 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -72.54 -43.85 62.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -163.81 146.27 9.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.19 107.62 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -119.77 134.59 55.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.22 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.11 129.36 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -111.36 161.2 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 t-80 -58.32 141.46 82.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.8 Cg_endo -69.69 -39.8 6.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.8 -54.3 9.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' HIS . 13.2 t -123.23 178.9 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.49 47.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' SER . 8.9 m170 -104.31 101.83 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' HIS . 15.1 m -35.8 108.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -39.91 -34.2 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.48 18.75 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' CA ' HD12 ' A' ' 23' ' ' LEU . 29.1 p -157.4 162.42 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.07 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 56.7 m-85 -114.62 136.58 52.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.713 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.54 174.36 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.9 tt0 -145.45 137.18 25.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.841 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 m-85 -98.49 164.68 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.2 mtp -85.26 -20.5 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.445 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 39.0 p -140.45 132.24 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -43.54 -51.79 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.81 -40.58 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.841 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -57.11 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.65 -45.99 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.56 -46.56 89.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.56 -24.69 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.944 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.3 t -79.29 -31.42 43.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 28.2 mt -75.17 -63.25 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.79 -36.18 18.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.71 80.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -61.1 113.58 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.6 pt? -72.12 -10.43 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 81' ' ' ALA . 4.6 mm-40 -86.91 -55.27 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 80' ' ' GLU . . . -32.98 144.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.7 pm0 -49.72 102.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.55 -93.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.21 -168.29 34.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.53 162.43 24.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.35 146.81 26.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -146.76 141.47 26.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 27' ' ' SER . 4.4 tp -121.36 98.68 6.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 70.07 49.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.12 32.92 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -132.67 120.39 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -71.47 117.52 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 23' ' ' LEU . 10.5 mt -88.8 124.61 34.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -101.02 102.34 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.944 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.6 t -96.89 128.71 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -143.21 143.37 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.76 99.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.651 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.8 -177.16 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.0 p -162.99 141.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.4 m -81.26 -62.75 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 101' ' ' ARG . 18.2 ttp-105 -65.84 146.78 54.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -95.9 43.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 57.48 41.79 25.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.34 112.21 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -122.74 124.12 42.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.4 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 139.57 40.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.62 2.213 . . . . 0.0 112.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.8 p -168.66 116.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -41.38 143.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m 47.15 43.07 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -166.54 134.16 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.5 102.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -84.5 146.77 27.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 0.0 110.828 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -130.71 -50.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 69.92 1.2 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' CD2' ' H ' ' A' ' 8' ' ' LEU . 3.5 mm? -41.35 153.04 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 10' ' ' SER . 54.1 Cg_endo -69.77 3.41 2.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.8 t -32.78 108.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.77 165.77 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 12' ' ' VAL . 8.2 p -125.4 42.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -149.33 136.98 20.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -128.83 49.22 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.26 48.93 1.72 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 6.1 mttp -125.87 118.36 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 53.7 m -140.07 163.51 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.599 ' N ' HG22 ' A' ' 17' ' ' THR . 6.8 m -158.09 118.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.9 t80 -111.14 121.85 46.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 23' ' ' LEU . 3.7 mp -95.58 138.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -125.71 157.95 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 t30 64.46 49.27 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 59' ' ' CYS . 44.7 mt -87.87 149.64 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 5.3 t -89.59 128.3 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -55.4 -41.37 72.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' SER . 41.2 t -39.43 157.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.2 mt-10 -145.94 136.29 23.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLU . 20.1 tt0 -34.97 -42.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.89 -60.39 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.936 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.15 -52.6 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -49.41 -50.32 41.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.64 -56.43 24.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -51.95 -16.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 31' ' ' ALA . 59.5 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.855 ' HB2' HD11 ' A' ' 42' ' ' LEU . 24.3 mt -94.1 -39.08 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' C ' ' CD ' ' A' ' 37' ' ' GLN . 4.3 pp0? -50.25 -18.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -57.52 -44.93 85.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.433 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.7 m-85 -75.26 -24.85 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.25 141.01 4.07 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -46.69 118.86 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 36' ' ' LEU . 28.6 mt -75.31 141.05 43.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -86.2 -44.66 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -158.65 124.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -116.82 117.9 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -129.62 136.89 50.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.1 p -119.31 117.44 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p -62.42 133.35 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mt -126.36 163.15 23.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.507 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 3.2 t-80 -57.12 140.86 77.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.3 Cg_endo -69.78 -28.19 25.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -103.64 -28.67 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' HIS . 1.2 p -116.91 175.57 5.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -99.58 19.43 15.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -79.62 173.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -120.49 149.6 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -87.19 41.73 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.29 31.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' C ' HD12 ' A' ' 23' ' ' LEU . 73.0 m -153.39 153.13 31.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.03 153.13 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 33.5 m-85 -117.58 132.53 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.95 174.18 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -139.9 146.8 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.789 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -105.93 171.05 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 mmt -85.84 -32.19 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.1 p -130.19 145.62 51.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.08 -50.1 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -51.57 -38.31 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.789 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -51.86 -58.51 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.43 -52.94 51.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -55.26 -39.86 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.7 t -74.36 -38.93 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' ALA . 68.0 mt -59.37 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.31 -27.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.75 -27.76 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.57 -33.94 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.92 114.1 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 80' ' ' GLU . 2.1 pt? -55.62 -36.92 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 9.1 pt-20 -60.91 -46.46 90.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.17 144.14 16.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.05 138.37 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.27 -65.45 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.4 -168.49 30.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.6 155.14 17.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.0 mp -86.57 149.23 25.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -144.22 127.5 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.1 tp -119.43 101.29 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t0 73.12 41.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.41 37.35 79.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -142.5 120.81 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -62.26 123.65 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 88' ' ' LEU . 47.6 mt -89.48 123.88 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -104.56 103.29 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' O ' HD22 ' A' ' 74' ' ' LEU . 29.6 t -103.96 127.0 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -138.59 145.04 40.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.07 100.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.87 -175.3 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t -143.51 127.44 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.6 m -87.44 115.32 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.55 172.36 17.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.89 108.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -87.12 50.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.97 90.2 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.12 88.34 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -96.28 137.17 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 42.36 80.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 140.53 43.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.2 m -134.07 -47.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 85.34 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -174.5 160.62 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -169.21 166.35 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.85 91.02 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -105.78 100.5 10.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -140.69 137.89 33.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 128.27 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -90.52 152.92 45.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -15.88 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -46.25 168.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -110.51 121.64 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.87 104.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 p -125.18 142.8 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.09 88.24 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . -142.72 46.39 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 5.0 mttp -119.45 117.9 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.666 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 55.0 m -140.37 152.78 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.749 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.3 m -148.61 118.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 40.9 t80 -110.36 125.93 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -100.18 137.3 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.0 mtt180 -123.96 169.92 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.4 t30 54.82 42.92 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 59' ' ' CYS . 60.8 mt -77.38 155.58 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.4 p -98.42 132.71 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.06 -31.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.85 -37.92 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 t -45.91 162.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.29 165.24 30.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.99 -35.77 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.15 -56.87 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.81 -53.76 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.749 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -42.83 -54.12 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.22 -54.59 35.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -46.1 -21.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' ALA . 78.3 t -79.05 -43.99 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.967 ' HB2' HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.26 -37.49 57.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.754 ' HG3' HD12 ' A' ' 42' ' ' LEU . 53.4 mt-30 -46.19 -42.32 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pt20 -37.99 -39.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 81.9 m-85 -80.11 -48.29 13.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.5 152.06 21.55 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -48.89 128.85 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.1 mt -89.83 114.52 26.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -55.26 -41.66 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -164.19 146.72 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.46 112.16 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -126.22 132.17 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.5 p -117.6 110.29 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.65 128.63 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 56' ' ' SER . 10.6 mt -116.67 163.63 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 6.6 t-80 -69.54 140.94 90.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.8 Cg_endo -69.77 -42.81 3.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.333 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.87 -52.88 54.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' HIS . 14.0 t -130.18 171.21 13.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -83.59 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -107.96 123.12 48.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.414 ' HA ' HD23 ' A' ' 49' ' ' LEU . 2.9 m -65.64 133.41 51.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 59' ' ' CYS . 43.6 mttt -80.55 42.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . 37.01 36.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.538 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.3 p -161.43 152.38 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.558 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.88 155.74 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 27.6 m-85 -119.16 134.93 54.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.68 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.5 tt0 -144.56 131.94 20.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 10.6 m-85 -90.03 169.88 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.51 -24.5 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.471 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 17.8 p -140.97 145.86 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 7.8 mm-40 -51.5 -49.75 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -46.45 -42.53 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.03 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -42.27 -45.0 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -64.68 -40.98 96.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -64.42 -25.83 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' HG11 ' A' ' 95' ' ' VAL . 15.3 t -79.17 -37.22 38.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 96' ' ' ASP . 96.0 mt -62.1 -60.29 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -51.22 -35.06 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -76.95 -31.28 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.59 -37.0 57.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -76.53 101.58 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.6 pt? -47.35 -21.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.73 -53.34 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -58.57 133.66 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.2 mt-10 33.7 41.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 82' ' ' GLU . . . 35.66 47.38 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.49 128.17 4.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.98 152.05 21.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 10.8 mp -88.84 149.49 23.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -147.51 144.55 28.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -135.57 110.9 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.62 29.89 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.76 26.27 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -127.2 120.95 29.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.94 107.15 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.95 132.46 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.68 102.44 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.691 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.4 t -100.55 129.83 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.0 t70 -144.84 143.63 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.94 -177.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.73 129.62 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 t -49.92 135.38 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.61 125.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -79.59 114.93 18.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -108.72 91.18 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -129.33 92.39 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.24 160.25 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -163.77 134.1 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.12 80.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.98 4.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -118.62 155.08 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.4 m -119.13 177.7 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -161.34 156.72 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -147.56 115.23 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.77 -122.17 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -148.94 143.99 26.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -167.63 130.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.04 149.33 8.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -46.4 149.32 1.39 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.72 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.46 9.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t -119.32 47.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.08 39.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 13' ' ' THR . 28.8 m -77.92 -43.42 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.464 ' N ' HG23 ' A' ' 12' ' ' VAL . 11.6 t -84.81 161.85 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -91.75 88.87 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.64 43.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.7 mttp -123.59 118.82 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.736 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 32.4 m -139.69 162.61 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.944 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 4.7 m -156.08 118.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 53.9 t80 -111.22 128.08 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 32' ' ' LEU . 3.7 mp -99.73 132.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.4 mtp85 -119.54 150.1 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 70.98 47.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.754 HD12 ' CA ' ' A' ' 59' ' ' CYS . 51.2 mt -78.98 148.55 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.401 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 4.3 t -81.89 144.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.81 -15.98 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.49 -19.01 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.616 ' OG ' HD23 ' A' ' 88' ' ' LEU . 67.0 m -51.83 155.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.53 159.19 44.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.97 -35.91 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.95 -52.1 47.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -65.39 -56.54 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.715 HD11 HD13 ' A' ' 20' ' ' ILE . 5.3 tt -40.78 -53.73 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.23 -47.52 90.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.88 -14.46 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 88' ' ' LEU . 99.5 t -89.18 -27.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 42' ' ' LEU . 65.4 mt -97.54 -22.14 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.662 ' CG ' HD12 ' A' ' 42' ' ' LEU . 22.1 mt-30 -61.04 -36.31 79.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.73 -37.58 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -74.96 -49.09 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.16 174.58 42.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.19 127.94 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 36' ' ' LEU . 14.0 mt -93.41 105.02 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -47.58 -49.62 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -159.05 136.31 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.61 104.81 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -117.12 134.07 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.71 110.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.8 p -60.47 121.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 56' ' ' SER . 8.9 mt -118.47 164.6 15.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.454 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 5.4 t-80 -56.36 139.22 74.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.551 0.691 . . . . 0.0 110.9 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.77 2.53 3.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -124.11 -60.79 1.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.2 t -106.79 168.22 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -92.7 48.81 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' LYS . 9.4 m170 -98.73 115.32 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.515 ' HA ' HD23 ' A' ' 49' ' ' LEU . 50.3 m -43.25 95.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 3.3 ttmm -37.11 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 120.24 4.64 11.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.754 ' CA ' HD12 ' A' ' 23' ' ' LEU . 6.7 m -154.35 163.38 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -153.62 166.69 31.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 23.1 m-85 -127.33 137.3 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.06 169.49 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -145.08 126.17 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.836 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 19.9 m-85 -87.64 171.67 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -94.03 -22.51 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 20.0 p -132.87 133.06 42.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.88 -51.51 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -49.68 -37.79 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.836 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.27 -63.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.38 -48.56 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -61.14 -42.39 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -62.17 -21.86 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 95' ' ' VAL . 3.5 t -82.34 -32.75 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 95' ' ' VAL . 39.4 mt -69.49 -66.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.67 -32.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.21 -36.26 27.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.27 -22.49 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -79.14 108.07 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.82 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.49 -19.23 61.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.803 ' N ' HD22 ' A' ' 79' ' ' LEU . 25.4 tt0 -70.07 -47.16 63.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 168.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.85 161.38 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.03 -54.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.81 134.44 4.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.52 175.63 11.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp -97.87 148.17 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -139.73 135.54 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.805 ' HB2' HD11 ' A' ' 93' ' ' LEU . 1.7 tp -116.47 104.7 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 64.21 30.26 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.76 17.99 57.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 20.5 mmt180 -122.36 117.73 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -59.93 130.5 47.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 88' ' ' LEU . 27.3 mt -104.14 133.86 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -110.63 104.89 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 73' ' ' CYS . 35.6 t -97.62 126.73 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -139.96 142.56 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.736 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.47 -176.21 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.0 p -162.37 142.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.2 p -75.7 109.53 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -110.09 85.76 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -56.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -60.07 86.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.35 168.67 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.5 164.55 25.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -130.89 43.0 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 41.99 -153.94 0.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 179.91 3.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -170.22 132.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.8 m -54.08 134.44 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -82.81 144.07 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.858 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -105.62 -51.33 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.41 179.63 47.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 57.16 45.82 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -80.22 -40.9 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.96 7.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -100.2 151.69 37.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.724 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -106.3 100.09 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.72 96.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 12' ' ' VAL . 11.9 p -91.3 36.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p -107.76 115.29 29.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -117.27 82.6 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.55 46.1 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -122.24 118.41 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.631 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 35.0 m -139.95 162.76 34.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.7 m -158.17 118.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.2 t80 -112.91 125.22 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.3 mp -95.91 140.08 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.9 mtp85 -123.27 152.28 41.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t30 69.04 45.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 59' ' ' CYS . 25.9 mt -72.94 156.89 38.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -100.74 139.07 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -51.8 -28.61 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -72.32 -33.92 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.855 ' OG ' HD23 ' A' ' 88' ' ' LEU . 34.1 m -49.1 156.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -149.36 140.15 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -38.34 -40.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.21 81.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.04 -56.97 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -40.07 -56.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.89 -44.51 98.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.37 -17.57 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 88' ' ' LEU . 84.2 t -89.75 -40.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 42' ' ' LEU . 33.3 mt -84.45 -9.84 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 13.5 mt-30 -71.8 -32.69 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 3.8 pt20 -49.61 -51.08 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 59.2 m-85 -57.75 -57.29 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.76 -174.72 23.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.21 120.94 22.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 37' ' ' GLN . 16.3 mt -79.52 131.78 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -81.48 -51.7 8.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.2 p90 -154.56 127.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.7 p -116.29 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -122.06 133.19 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 60' ' ' ALA . 4.3 p -119.33 113.29 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.41 134.98 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 56' ' ' SER . 13.6 mt -119.09 164.01 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 8.0 t-80 -59.14 139.53 87.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.81 -43.32 2.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -107.44 171.13 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.84 52.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -109.06 163.42 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 49' ' ' LEU . 15.7 t -73.4 120.39 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -40.69 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.55 4.07 4.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.693 ' C ' HD12 ' A' ' 23' ' ' LEU . 22.1 p -159.04 170.51 21.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.52 159.49 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 47.0 m-85 -122.81 132.37 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 169.39 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.3 tt0 -138.18 140.38 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 12.8 m-85 -98.67 171.91 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 mmt -94.91 -12.2 27.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -144.9 142.01 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.82 -49.07 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -51.5 -42.76 61.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.28 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.78 -55.57 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -53.55 -43.99 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -61.53 -26.18 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 95' ' ' VAL . 1.7 t -79.74 -27.08 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -75.25 -67.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.61 -34.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.12 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.11 -38.3 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -69.58 103.31 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -61.34 -14.3 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.29 -37.09 22.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -68.1 142.28 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 81' ' ' ALA . 14.7 pt-20 32.36 36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' ALA . . . 38.78 64.61 0.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.16 125.97 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -133.94 156.86 22.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -93.11 153.78 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -146.87 127.78 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.945 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -117.26 120.9 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.6 26.15 15.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.91 32.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -139.37 129.22 24.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -58.87 140.58 55.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' HB2' ' A' ' 88' ' ' LEU . 33.7 mt -112.51 116.8 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -98.7 105.3 17.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 73' ' ' CYS . 58.7 t -101.44 128.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.98 144.89 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 100.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.61 -176.55 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.0 t -153.37 145.74 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.5 m -77.69 80.95 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -143.33 176.03 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.81 88.56 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' ALA . 15.5 mm-40 -52.48 -48.07 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -35.52 127.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -109.84 -57.26 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 105' ' ' ALA . 32.5 t -36.68 -60.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.57 176.03 14.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -3.85 12.85 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.5 t -53.73 -59.98 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -45.82 -51.54 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -134.26 142.62 47.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -168.64 168.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.35 143.18 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 54.1 p -119.76 153.11 36.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 14.9 m -36.66 104.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.18 150.52 11.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.7 pp -100.55 145.61 30.6 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 150.74 68.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -168.17 124.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -112.31 100.49 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.6 t -70.04 -43.43 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.8 m -106.68 117.78 34.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -99.97 85.88 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.81 49.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.0 mttp -124.34 118.97 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.722 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 34.1 m -139.47 162.62 34.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.834 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -157.24 118.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 3.0 t80 -111.48 124.72 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 60' ' ' ALA . 2.3 mp -99.69 130.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ASN . 7.8 ttp180 -107.31 -176.19 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 35.1 t30 34.12 54.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 59' ' ' CYS . 15.2 mt -82.28 149.05 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.78 143.67 39.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -67.41 -15.82 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.22 -17.11 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -56.77 151.22 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -134.37 141.95 47.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 45' ' ' VAL . 11.6 tt0 -38.9 -41.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.91 -59.6 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.88 -54.59 44.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -45.03 -49.33 11.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.12 -48.7 67.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.5 -18.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.8 t -83.01 -45.97 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 42' ' ' LEU . 16.9 mt -77.5 -19.26 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.685 ' HG3' HD12 ' A' ' 42' ' ' LEU . 28.3 mt-30 -60.74 -38.25 84.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -41.84 -44.61 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -71.09 -58.68 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.24 169.17 31.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.52 117.44 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.8 mt -76.52 122.82 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -65.69 -48.66 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.2 p90 -155.73 136.6 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 29' ' ' GLU . 1.6 p -123.96 115.88 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -128.57 134.95 48.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.84 110.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 59' ' ' CYS . 6.7 p -62.29 146.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.9 mt -122.12 162.0 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.9 t-80 -57.23 141.26 77.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.825 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.2 Cg_endo -69.7 -39.95 6.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.37 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -92.21 -176.35 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -112.11 36.21 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -96.89 172.06 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -83.41 105.06 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -42.16 -29.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.81 24.92 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -161.84 143.3 11.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -142.73 143.08 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' CE2' ' HD2' ' A' ' 19' ' ' PHE . 20.6 m-85 -101.77 138.36 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.834 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.75 168.76 19.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.8 tt0 -141.29 141.14 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.856 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -101.8 172.01 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mmt -88.81 -28.2 20.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 22.4 p -131.31 145.48 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -53.33 -50.24 65.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.75 -38.66 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.58 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -57.78 -45.3 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -58.46 -27.5 64.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.961 ' SG ' HG11 ' A' ' 95' ' ' VAL . 9.7 t -76.25 -33.18 59.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 95' ' ' VAL . 23.2 mt -68.02 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.68 -28.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.97 -35.07 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 -28.62 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -71.4 107.7 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.726 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.8 pt? -63.06 -10.72 15.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -84.35 -47.29 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.14 149.22 12.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -57.44 144.88 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 112.2 -52.99 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.68 153.93 7.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.14 163.75 28.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.03 138.63 31.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -134.44 141.37 46.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.3 tp -124.55 109.8 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.98 28.28 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.01 26.57 31.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -124.63 129.63 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -76.14 106.27 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 88' ' ' LEU . 14.3 mt -80.23 128.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -107.34 103.64 13.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.961 HG11 ' SG ' ' A' ' 73' ' ' CYS . 45.3 t -97.39 122.95 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.91 144.64 41.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.93 100.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.39 -175.63 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.78 136.51 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.5 m -76.08 105.87 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -168.42 140.42 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 6.7 m-20 -41.3 118.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -91.08 81.27 5.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.48 134.28 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.09 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -111.78 80.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.34 89.9 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 88.32 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t -151.58 161.24 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.8 m -132.93 172.5 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -152.7 132.77 13.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -124.3 164.91 18.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.37 66.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -172.91 155.21 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -112.57 112.83 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.87 157.67 9.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.0 mm? -63.1 152.23 84.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -11.31 30.49 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m 52.09 46.65 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.55 44.91 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 12' ' ' VAL . 8.9 p -73.95 -7.77 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -100.23 126.64 46.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -119.51 48.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.7 46.06 1.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' THR . 11.2 mttt -122.42 118.63 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.9 m -139.74 162.85 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.579 ' N ' HG22 ' A' ' 17' ' ' THR . 7.3 m -158.3 119.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 40.3 t80 -113.06 123.91 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.89 132.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -119.57 148.48 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 72.03 51.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.73 HD12 ' CA ' ' A' ' 59' ' ' CYS . 66.0 mt -79.23 164.97 23.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 2.9 t -103.72 143.08 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -50.54 -39.05 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -36.33 84.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 p -41.67 147.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ALA . 17.2 mt-10 -145.66 135.39 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 tt0 -35.26 -41.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -62.72 -47.91 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.95 -55.93 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -39.25 -51.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.49 -56.55 23.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -43.09 -25.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 31' ' ' ALA . 34.5 t -77.56 -50.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.853 ' HB2' HD11 ' A' ' 42' ' ' LEU . 56.1 mt -75.67 -16.51 60.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 42' ' ' LEU . 10.5 mt-30 -68.04 -19.54 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.5 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -66.98 -56.1 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.18 175.04 34.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.89 122.81 17.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.352 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.2 mt -82.36 114.56 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -59.71 -47.07 87.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -160.91 140.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -127.9 112.66 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -128.89 129.72 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -115.47 124.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.761 HG22 ' HG3' ' A' ' 57' ' ' LYS . 7.5 p -67.16 119.07 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' A' ' 56' ' ' SER . 10.5 mt -118.13 140.57 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 53.3 t-80 -56.0 139.45 71.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.897 ' O ' HG22 ' A' ' 53' ' ' THR . 53.5 Cg_endo -69.71 -176.77 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 38.31 25.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 51' ' ' PRO . 12.9 t -177.15 179.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 54' ' ' GLU . 10.2 tm-20 -117.56 39.04 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -87.73 150.8 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.588 ' HA ' HD23 ' A' ' 49' ' ' LEU . 25.9 t -98.27 103.51 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.761 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.2 mmtt -34.07 -44.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.56 13.14 2.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.44 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.73 ' CA ' HD12 ' A' ' 23' ' ' LEU . 31.2 p -157.81 165.31 35.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.59 153.34 26.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.4 m-85 -116.29 135.8 53.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.67 168.83 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -136.52 137.19 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 9.8 m-85 -94.46 170.79 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.04 -6.57 38.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 25.0 p -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -53.11 -47.58 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.11 -37.61 64.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -57.28 -61.73 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -44.78 -52.05 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -57.38 -45.34 84.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.75 -26.19 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.777 ' SG ' HG11 ' A' ' 95' ' ' VAL . 20.4 t -78.16 -30.93 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.9 mt -71.06 -67.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.54 -30.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.71 -34.53 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -70.11 -27.79 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -70.19 107.02 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 79' ' ' LEU . 2.7 pt? -55.59 -27.92 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -43.14 95.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -51.34 131.25 28.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ALA . 30.0 mt-10 -36.48 101.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.01 81.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -148.63 -35.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' GLY . . . -34.46 135.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 84' ' ' GLY . 10.2 mp -92.87 144.14 25.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -138.35 133.7 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.777 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -115.6 100.83 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.5 27.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.29 18.87 54.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 30.4 mmt-85 -117.83 116.68 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -61.23 118.85 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 88' ' ' LEU . 18.9 mt -95.02 136.4 35.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -114.86 102.98 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.777 HG11 ' SG ' ' A' ' 73' ' ' CYS . 44.5 t -97.12 123.9 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -136.74 144.01 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.88 100.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.39 174.45 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.58 133.18 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 101' ' ' ARG . 4.2 t -56.69 -47.63 79.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.457 ' N ' HG23 ' A' ' 100' ' ' THR . 26.1 ttm-85 -58.92 104.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -105.26 132.78 51.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -98.19 43.09 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.38 101.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.63 134.24 33.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 t -52.63 145.33 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.36 -148.22 19.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.58 17.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.3 m -106.56 -51.77 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.7 m -60.33 151.94 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -72.39 82.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -152.31 153.68 34.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.53 75.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -110.67 135.41 51.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 p -109.32 151.22 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.64 94.09 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 pp -110.23 145.34 31.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.1 Cg_endo -69.75 149.88 67.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 83.8 p -35.5 128.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.6 142.16 58.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.31 -53.8 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 p -46.86 148.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HG2' ' NE2' ' A' ' 63' ' ' GLN . 10.7 tt0 -94.6 49.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . -84.79 45.87 3.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 66' ' ' THR . 9.9 mttt -119.32 118.32 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.746 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 33.7 m -140.1 162.92 34.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.878 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.1 m -156.59 128.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 59' ' ' CYS . 62.0 t80 -120.2 119.55 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -97.0 132.82 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.15 173.79 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 t30 48.38 54.98 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD21 ' CG2' ' A' ' 20' ' ' ILE . 18.9 mt -86.18 143.13 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.4 t -78.21 142.12 38.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.2 -17.15 57.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.88 -15.51 29.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' HD23 ' A' ' 88' ' ' LEU . 20.2 m -63.32 155.34 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -133.41 169.73 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.05 -35.8 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.9 -44.76 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.76 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -50.62 -53.32 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.44 -49.9 72.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -50.23 -20.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 88' ' ' LEU . 45.3 t -86.3 -37.26 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.6 mt -90.03 -1.13 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 14.7 mt-30 -81.03 -39.11 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -41.41 -45.95 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -63.82 -58.46 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.25 -166.57 13.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -84.88 119.03 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.951 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -82.05 126.5 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -71.63 -58.54 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.1 p90 -148.43 129.91 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 p -116.46 113.26 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.3 138.59 52.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -116.01 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.72 139.81 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -103.63 162.0 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 8.2 t-80 -58.82 140.56 86.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.7 -45.14 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -69.77 -58.69 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 55' ' ' HIS . 2.0 t -108.72 173.9 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.88 47.94 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' H ' HG23 ' A' ' 53' ' ' THR . 5.8 m170 -94.68 169.18 10.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.3 m -86.43 92.26 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -38.73 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . -83.86 28.68 3.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.8 m -156.53 157.54 35.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -153.29 162.87 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 79.3 m-85 -122.58 142.36 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.878 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -142.11 171.02 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' NE2' ' HG2' ' A' ' 14' ' ' GLU . 20.3 tt0 -142.23 133.75 26.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.2 m-85 -96.79 164.49 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mmt -87.27 -16.8 34.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 22.1 p -138.03 144.66 41.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 6.5 mm-40 -60.53 -43.83 96.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.73 -30.24 65.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -62.47 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.71 -47.63 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -60.55 -38.04 83.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.96 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 36' ' ' LEU . 44.2 t -75.99 -41.75 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 86.0 mt -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.14 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -27.9 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.91 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -85.93 120.2 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 80' ' ' GLU . 0.2 OUTLIER -73.14 -8.93 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 79' ' ' LEU . 31.2 tt0 -83.95 -32.11 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.77 162.55 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.34 143.96 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.74 -62.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 178.42 17.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.442 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.65 154.56 16.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp -93.02 142.58 27.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -139.64 127.4 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.941 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.5 tp -106.79 98.58 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.26 38.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.02 9.47 87.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -110.87 118.23 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.67 123.53 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.9 mt -97.0 129.23 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.91 102.16 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.44 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.7 t -96.71 126.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -140.98 141.83 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.32 99.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.746 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.65 150.14 32.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -100.22 -175.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 p -60.11 92.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -93.53 -38.31 11.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.72 94.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.64 93.63 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.66 153.0 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.13 145.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -155.04 113.56 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.83 148.97 5.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 102.7 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 m -86.36 102.07 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.0 p -56.99 101.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -157.05 135.35 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -150.29 158.0 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.49 -125.4 1.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -146.14 115.2 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -72.34 103.88 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.03 84.82 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.48 143.01 25.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.5 Cg_endo -69.79 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.27 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' PRO . 6.9 m -35.62 145.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.52 175.05 7.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.73 -38.38 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 m -95.88 111.29 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.16 80.95 5.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.98 39.93 1.75 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.424 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.2 mttp -121.0 118.61 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.775 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 25.0 m -139.98 162.41 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.803 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.1 m -154.54 120.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 30.3 t80 -112.83 118.77 35.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.41 132.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -118.59 161.95 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 64.04 48.81 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 59' ' ' CYS . 84.3 mt -85.68 147.53 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -86.93 143.06 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -52.16 -26.06 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -75.16 -32.89 61.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.3 t -48.47 159.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -148.97 175.57 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -72.52 -35.5 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.79 -48.57 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.16 -50.4 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.3 tt -48.24 -59.33 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.25 -48.09 82.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.537 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -52.74 -20.07 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' ALA . 80.3 t -81.26 -46.73 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.784 HD22 ' SG ' ' A' ' 73' ' ' CYS . 80.1 mt -74.82 -27.29 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.798 ' HG3' HD12 ' A' ' 42' ' ' LEU . 17.9 mt-30 -53.82 -32.07 51.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 3.0 pt20 -53.12 -39.67 63.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -73.51 -39.95 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.37 157.7 21.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.541 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.37 144.21 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.798 HD12 ' HG3' ' A' ' 37' ' ' GLN . 14.6 mt -110.8 111.48 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -57.61 -54.69 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -152.1 130.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.95 111.9 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -123.75 131.19 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -117.79 120.61 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 59' ' ' CYS . 4.9 p -59.36 135.14 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.3 mt -112.92 163.43 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.9 t-80 -56.68 141.1 74.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.74 -44.09 2.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.52 -55.29 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -100.86 -174.62 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -122.08 58.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -112.03 -76.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 m -175.97 145.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.637 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.6 tppp? -84.08 -51.97 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.71 -19.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.64 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.9 m -132.97 174.3 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -155.09 153.81 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 20.8 m-85 -119.31 135.19 54.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.21 167.43 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' NE2' ' CD2' ' A' ' 44' ' ' TYR . 4.5 tt0 -135.74 143.71 45.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.893 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 9.4 m-85 -105.41 171.89 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.0 mmt -95.39 -21.38 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 38.6 p -137.6 130.08 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.83 -53.97 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -48.5 -35.84 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.1 -64.3 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.65 -46.59 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.38 -41.77 94.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -61.85 -25.04 67.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.784 ' SG ' HD22 ' A' ' 36' ' ' LEU . 5.2 t -79.94 -35.18 38.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 95' ' ' VAL . 41.3 mt -68.42 -65.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.34 -27.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.87 -31.45 17.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.07 -28.56 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -91.2 110.95 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.971 HD13 ' N ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -60.62 -23.99 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.971 ' N ' HD13 ' A' ' 79' ' ' LEU . 5.1 pt-20 -78.73 -37.38 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.05 157.55 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.4 82.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.45 -70.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.56 -167.54 40.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.58 117.3 1.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.7 138.37 32.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -142.39 138.59 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.9 tp -115.13 101.3 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 73.26 25.31 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.48 34.19 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.31 129.59 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -73.98 107.86 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 88' ' ' LEU . 6.0 mt -83.93 125.48 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -97.9 102.23 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.8 t -99.47 123.65 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.092 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.29 144.68 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 99.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.22 163.81 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -126.47 106.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.8 m -55.7 103.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.3 170.67 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.07 91.82 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.33 92.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.34 102.03 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.57 173.89 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.3 p -86.1 152.05 23.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.52 83.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.29 37.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' SER . 39.4 t -77.13 -54.64 6.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.1 p 36.05 42.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 58.3 43.84 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -118.44 143.63 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.22 160.11 23.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -139.69 164.12 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -158.29 176.65 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.46 -39.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.2 pp -90.44 150.21 42.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 113.31 3.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.23 . . . . 0.0 112.296 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -80.7 174.93 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -174.39 154.63 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.4 t -41.67 111.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 10.5 m -155.45 128.8 8.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -55.46 84.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' THR . . . -143.21 46.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 3.6 mttp -122.28 118.52 28.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 44.2 m -140.03 162.98 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.584 ' N ' HG22 ' A' ' 17' ' ' THR . 7.5 m -157.04 118.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 14.1 t80 -112.48 124.26 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.1 mp -95.88 134.66 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -119.88 149.52 41.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.68 45.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.8 mt -80.68 150.31 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -98.53 136.53 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 56' ' ' SER . 97.5 m-85 -51.18 -39.2 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.84 -26.7 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.554 ' HB2' HD23 ' A' ' 88' ' ' LEU . 40.7 t -62.17 168.66 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -147.17 134.9 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.818 ' HG2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.67 -48.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.1 -59.28 5.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.25 -56.05 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.0 tt -39.43 -52.25 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.67 -58.8 11.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -40.86 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.9 t -76.88 -48.67 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD11 ' A' ' 42' ' ' LEU . 52.7 mt -71.89 -28.37 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.671 ' CG ' HD12 ' A' ' 42' ' ' LEU . 37.7 mt-30 -54.38 -33.78 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -45.61 -42.75 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -74.45 -41.04 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.53 152.19 18.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.25 116.14 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -75.45 125.01 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 16.8 tptp -64.15 -42.43 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -158.82 144.35 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 29' ' ' GLU . 2.8 p -130.36 118.84 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -135.93 136.25 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.7 p -119.62 121.73 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 59' ' ' CYS . 5.8 p -59.08 138.58 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -133.44 156.14 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.545 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 1.9 t-80 -62.79 140.65 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.78 -27.65 26.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.31 -51.24 9.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -133.52 178.47 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.55 45.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.63 121.31 33.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.6 p -71.09 112.63 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.23 -36.75 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.42 23.79 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.668 ' O ' HG12 ' A' ' 48' ' ' VAL . 32.0 p -160.61 155.91 24.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -150.59 155.08 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 42.3 m-85 -118.69 137.07 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.33 178.31 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.62 ' O ' HD23 ' A' ' 42' ' ' LEU . 27.6 tt0 -146.21 153.86 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 15.9 m-85 -114.77 170.24 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.489 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 5.1 mmt -85.71 -29.08 24.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.466 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 58.7 p -138.05 135.5 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 72.1 mt-30 -40.9 -53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.54 -44.78 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -54.39 -55.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.69 -48.18 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -59.72 -39.82 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.35 -33.7 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.8 t -67.85 -35.84 79.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.71 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.45 -33.59 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -30.28 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.66 9.41 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -101.41 100.91 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -47.72 -34.88 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -53.05 -41.29 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -56.6 115.92 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.9 pm0 -34.12 110.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.6 86.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.15 -36.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -39.11 134.44 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.12 141.73 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -143.13 128.82 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.735 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -116.65 105.73 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 69.34 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.48 78.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -136.09 123.7 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -70.88 106.89 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 88' ' ' LEU . 12.2 mt -80.78 132.57 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -108.14 102.4 11.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -96.33 133.09 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.64 144.44 30.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.77 103.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.731 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.83 -178.58 6.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 100' ' ' THR . 14.3 p -169.71 133.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' VAL . 27.0 m -34.69 -54.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -46.08 108.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -101.73 80.97 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 44.93 41.05 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.67 152.33 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.61 149.19 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.7 p -122.78 166.57 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.54 62.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.46 2.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.3 p -157.85 115.09 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.6 t -132.72 147.05 52.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -119.44 160.12 22.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -111.35 -43.01 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.29 59.45 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -82.66 130.7 35.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -95.56 91.18 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.21 115.67 6.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.4 pp -82.39 140.37 45.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -31.09 21.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' 8' ' ' LEU . 10.0 t -61.01 160.79 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.26 169.17 9.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.0 139.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.8 m -138.67 136.99 36.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 43.38 43.4 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.43 54.63 0.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 66' ' ' THR . 4.4 mttp -129.72 118.67 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.723 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 84.4 m -139.87 161.11 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.4 m -154.63 118.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.697 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 43.5 t80 -110.67 124.3 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -99.23 129.88 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 41.0 mtm180 -116.46 148.39 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 72.83 49.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' CA ' ' A' ' 59' ' ' CYS . 36.4 mt -85.27 160.81 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 p -100.12 136.07 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.73 -45.57 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.02 -36.48 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 p -43.29 151.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -139.0 138.4 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 14.1 tt0 -38.6 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -69.11 -60.31 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.97 -52.31 65.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -45.32 -53.14 8.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.35 -59.01 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -40.61 -24.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -77.11 -51.75 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.1 mt -69.43 -27.95 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.707 ' HG3' HD12 ' A' ' 42' ' ' LEU . 32.3 mt-30 -53.77 -41.48 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -38.35 -42.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -75.66 -48.91 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.36 154.65 25.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.02 122.48 11.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -81.06 125.05 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -68.0 -44.39 76.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -159.6 129.42 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -119.37 111.6 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.23 137.75 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -118.7 121.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.98 140.4 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 56' ' ' SER . 33.0 mt -130.67 150.43 51.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.8 t-80 -61.72 140.59 95.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.0 Cg_endo -69.74 -25.72 28.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -78.46 -53.19 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -138.9 177.12 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -79.51 48.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -100.43 91.12 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.461 ' HA ' HD23 ' A' ' 49' ' ' LEU . 10.0 t -44.14 112.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -40.53 -36.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.89 12.76 3.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.9 p -147.38 167.24 24.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -158.07 155.78 29.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.5 m-85 -119.47 133.2 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 171.62 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.36 142.25 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.83 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 20.5 m-85 -102.41 171.87 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mmt -89.53 -25.61 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.9 p -133.51 138.82 46.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -48.65 -50.47 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -50.9 -38.07 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.7 -60.39 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.41 32.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -61.07 -46.48 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -58.53 -31.52 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.747 ' SG ' HG11 ' A' ' 95' ' ' VAL . 7.1 t -72.96 -31.75 64.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 93.3 mt -67.41 -65.92 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -26.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.37 22.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.85 -37.29 59.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -67.74 121.35 15.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.3 pt? -77.2 -23.7 51.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.4 1.06 54.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.02 -76.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -157.64 118.19 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.69 -48.55 3.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' C ' ' HA ' ' A' ' 79' ' ' LEU . . . 155.26 -178.84 31.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.474 ' N ' ' HA ' ' A' ' 79' ' ' LEU . . . -104.97 -169.37 24.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.04 160.79 15.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -147.71 132.24 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.582 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.4 tp -116.86 99.22 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.6 27.63 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.35 25.84 35.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -126.5 120.62 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.42 120.29 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mt -94.25 132.14 39.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -110.05 102.6 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.747 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.0 t -97.48 127.21 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.9 t70 -141.59 142.91 33.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 100.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.723 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.32 -176.7 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.02 110.38 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.1 m -83.04 92.31 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -66.19 163.37 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.74 138.82 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -108.61 41.67 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.86 111.36 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 50.66 42.27 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -81.13 85.07 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.51 142.25 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.1 t -104.03 98.47 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 m -151.4 158.13 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.446 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -72.5 98.78 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -83.97 104.94 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.38 -120.38 6.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -128.08 165.1 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -153.06 153.34 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 19.26 73.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.818 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -41.56 150.01 0.36 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.96 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.641 ' N ' HD22 ' A' ' 8' ' ' LEU . 54.1 Cg_endo -69.74 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -71.88 108.4 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -163.56 171.26 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 12' ' ' VAL . 4.5 p -145.64 108.69 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 p -151.43 165.84 32.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.91 54.77 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.02 49.74 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 3.8 mttp -126.75 118.68 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.77 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 54.7 m -139.77 160.72 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.615 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.8 m -154.45 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.747 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 52.2 t80 -112.7 121.98 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 32' ' ' LEU . 3.1 mp -95.86 138.66 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 26.2 mtp180 -121.69 158.77 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t30 66.52 37.77 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.683 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.4 mt -70.25 148.8 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -93.2 138.72 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -53.05 -22.9 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.96 -35.99 59.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 48.2 t -49.77 162.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 143.83 23.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' CG ' HG22 ' A' ' 45' ' ' VAL . 15.4 tt0 -38.85 -40.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -58.29 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -61.24 -57.02 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -39.31 -58.82 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.98 -48.1 81.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.76 -19.32 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' ALA . 58.7 t -87.29 -32.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.811 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.3 mt -88.52 -19.03 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.81 ' CG ' HD12 ' A' ' 42' ' ' LEU . 27.0 mt-30 -67.49 -28.43 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -49.84 -43.88 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -69.18 -49.41 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.87 179.77 38.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.98 127.56 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.7 mt -89.96 119.34 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' ' NE2' ' A' ' 63' ' ' GLN . 17.8 tptm -61.25 -46.09 91.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -162.97 135.32 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.408 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.2 p -120.65 112.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.33 134.64 52.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 60' ' ' ALA . 3.8 p -118.13 126.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.2 p -67.14 118.94 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -115.3 163.58 15.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 3.7 t-80 -58.73 141.15 85.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.83 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.77 -12.49 32.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -115.66 -43.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -116.32 -178.44 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -108.82 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -102.5 120.52 40.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.5 t -52.38 103.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -39.36 -37.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.88 1.63 2.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.683 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.0 p -156.81 166.32 33.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -150.49 164.92 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.747 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 48.7 m-85 -128.84 133.6 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -133.76 171.82 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 43' ' ' LYS . 3.7 tt0 -139.65 138.33 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.914 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -97.85 171.89 8.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mtp -95.07 -20.05 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.424 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 9.2 p -135.95 129.51 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.25 -50.07 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 12.5 tp10 -50.59 -40.74 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.914 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.13 -63.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.03 -43.63 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -65.67 -37.12 85.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 67.6 mttt -68.89 -23.91 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.36 -35.55 27.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 60.9 mt -67.32 -61.21 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.02 -33.21 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.06 -28.33 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.08 -12.01 59.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -106.22 101.53 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.819 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.68 -19.28 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.804 ' N ' HD22 ' A' ' 79' ' ' LEU . 7.1 pt-20 -82.52 -28.14 31.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.65 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -130.96 33.33 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.04 42.07 59.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' C ' ' HA ' ' A' ' 79' ' ' LEU . . . -152.66 119.92 1.01 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.27 19.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 mp -88.39 154.86 20.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -147.47 148.01 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -129.99 97.85 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.95 40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.95 13.89 82.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -114.74 128.3 56.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -71.84 113.3 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 88' ' ' LEU . 32.7 mt -83.85 106.82 15.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -90.72 102.62 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 18.4 t -100.45 130.15 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 11.6 t70 -141.79 144.56 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.92 100.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.77 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -82.76 -178.6 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.5 t -139.6 120.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 m -86.98 -64.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.74 140.65 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -116.41 152.32 34.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.68 42.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.24 100.39 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.7 134.02 36.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -63.02 -47.23 83.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.51 83.6 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 126.33 13.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -149.42 111.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.8 t -87.81 -46.62 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.4 mttp -121.88 119.1 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.718 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.0 m -139.49 162.29 35.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.769 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.2 m -156.15 118.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 57.6 t80 -110.89 126.53 54.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 32' ' ' LEU . 2.6 mp -99.56 132.52 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 36.6 mtp180 -118.67 158.02 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.1 t30 64.56 39.63 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CA ' ' A' ' 59' ' ' CYS . 35.3 mt -72.67 150.21 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 15.2 t -97.92 144.73 27.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -48.88 -30.63 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.74 -32.06 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.8 t -56.4 141.9 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.38 150.53 44.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.53 -37.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.84 -59.1 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.98 -57.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -39.14 -58.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.36 -49.21 65.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.48 -17.74 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' ALA . 82.3 t -85.96 -31.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.693 ' HB2' HD11 ' A' ' 42' ' ' LEU . 46.1 mt -96.22 -8.62 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.782 ' HG3' HD12 ' A' ' 42' ' ' LEU . 9.3 mt-30 -73.17 -34.11 65.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -47.43 -45.36 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.14 -43.36 92.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.65 175.46 45.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.38 131.81 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 37' ' ' GLN . 13.6 mt -96.09 126.3 41.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -69.24 -49.43 56.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -159.25 136.72 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.08 112.21 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -126.9 135.29 50.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.75 114.88 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 59' ' ' CYS . 7.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.661 ' CA ' HD12 ' A' ' 23' ' ' LEU . 1.7 p -161.65 144.2 11.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.51 156.46 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 49.9 m-85 -122.92 134.15 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.769 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.14 171.23 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.2 tt0 -141.34 141.15 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.897 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 14.7 m-85 -101.74 170.53 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtp -92.67 -17.3 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.42 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.4 p -139.97 139.82 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.77 -48.13 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.03 -36.51 60.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.897 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.68 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.84 -44.6 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.7 mm-40 -62.33 -38.36 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -63.92 -28.88 70.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.949 ' SG ' HG11 ' A' ' 95' ' ' VAL . 14.5 t -73.17 -39.72 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -60.21 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.6 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -89.61 -36.34 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -75.76 -11.97 60.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 77' ' ' ALA . 9.5 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -145.39 140.58 27.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.1 tp -137.43 109.11 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.38 41.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.96 30.62 72.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 29.7 mtt180 -142.28 122.27 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.96 149.19 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 88' ' ' LEU . 20.4 mt -118.26 129.61 55.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -107.26 104.66 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.949 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -100.3 123.1 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -137.51 144.38 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.08 100.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.31 -179.92 7.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 66' ' ' THR . 6.2 mttp -119.57 118.32 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.65 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 30.3 m -140.12 162.26 35.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.956 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 10.9 m -157.84 118.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 41.6 t80 -112.01 123.41 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.44 134.92 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -121.66 149.69 42.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t30 71.21 50.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 59' ' ' CYS . 42.9 mt -76.97 165.61 24.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 144.26 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -61.66 -16.69 50.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.6 -25.97 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.3 m -61.66 151.5 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLU . 9.3 mt-10 -141.6 147.49 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' GLU . 15.2 tt0 -34.48 -39.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.96 -47.64 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.7 tt -49.31 -54.9 14.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -62.68 -55.17 28.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -42.66 -24.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG21 HD13 ' A' ' 88' ' ' LEU . 78.4 t -78.33 -57.76 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.974 ' HB2' HD11 ' A' ' 42' ' ' LEU . 51.3 mt -61.35 -31.93 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 42' ' ' LEU . 12.6 mt-30 -55.22 -14.49 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 4.4 pt20 -64.2 -44.71 91.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.545 ' HE1' HD21 ' A' ' 86' ' ' LEU . 78.4 m-85 -75.04 -37.77 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.33 154.3 15.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.3 158.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.4 mt -122.91 113.84 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -53.35 -50.37 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -158.6 141.04 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.31 105.55 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -118.36 136.66 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.3 p -117.24 120.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.583 ' CA ' HD12 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -157.63 159.35 36.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.9 155.01 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -114.71 134.14 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.956 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -131.51 166.37 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.4 tt0 -139.82 120.52 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 12.0 m-85 -80.05 163.79 23.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mmm -83.71 -17.99 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.477 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 19.1 p -141.65 149.41 40.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.43 89.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.59 -40.61 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.03 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -43.43 -48.64 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.731 ' N ' HE21 ' A' ' 71' ' ' GLN . 0.8 OUTLIER -56.95 -48.43 78.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.59 -21.65 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.853 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.7 t -86.63 -24.84 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 96' ' ' ASP . 52.5 mt -78.11 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.07 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 86' ' ' LEU . . . -86.58 -21.85 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . . . -84.13 -37.25 22.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.783 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD21 ' HE1' ' A' ' 39' ' ' PHE . 9.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -147.04 128.04 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.925 ' HB2' HD11 ' A' ' 93' ' ' LEU . 13.5 tp -107.49 99.9 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 74.87 47.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.91 15.12 64.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -115.57 124.06 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -64.84 133.94 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 88' ' ' LEU . 11.4 mt -114.7 142.98 45.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -113.83 102.49 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' SG ' ' A' ' 73' ' ' CYS . 32.5 t -98.99 127.65 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HA ' HD22 ' A' ' 74' ' ' LEU . 35.6 t70 -142.23 144.46 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.84 99.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -83.95 179.22 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.6 mttp -117.42 118.67 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.1 m -139.83 161.3 37.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.716 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.5 m -152.96 122.0 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.694 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 45.9 t80 -114.63 119.82 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.5 mp -94.58 136.4 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -122.07 159.8 26.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 t30 63.86 53.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 59' ' ' CYS . 44.4 mt -89.88 159.57 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' SER . 7.7 t -98.37 132.06 44.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -39.9 -46.4 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' SER . 2.4 p30 -56.18 -38.65 71.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.5 p -36.76 149.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.92 142.6 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.68 -42.22 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.68 -58.06 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -58.11 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.754 ' C ' HD23 ' A' ' 32' ' ' LEU . 3.8 tt -38.71 -53.66 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 35' ' ' VAL . . . -65.13 -55.23 22.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -45.9 -21.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' GLY . 41.9 t -80.89 -43.43 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.97 ' HB2' HD11 ' A' ' 42' ' ' LEU . 42.8 mt -75.99 -37.53 58.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.733 ' HG2' HD12 ' A' ' 42' ' ' LEU . 27.6 mt-30 -46.06 -35.59 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -48.97 -36.48 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.94 -44.29 27.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.22 157.8 29.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -52.15 123.87 11.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 36' ' ' LEU . 11.7 mt -88.02 130.94 34.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 19.7 tptp -73.96 -46.18 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -157.37 145.24 18.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -130.9 117.51 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -133.03 132.33 41.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.93 109.13 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 7.2 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.619 ' CA ' HD12 ' A' ' 23' ' ' LEU . 2.2 m -153.89 168.58 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.713 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.29 158.42 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.694 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 77.7 m-85 -120.93 137.55 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -139.4 171.09 14.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.512 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.0 tt0 -139.11 148.32 43.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.943 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.4 m-85 -109.42 171.78 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.479 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 mmt -95.21 -21.71 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 24.6 p -134.07 128.58 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -40.96 -52.8 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.18 -38.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -52.63 -65.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.47 ' HB3' HE21 ' A' ' 71' ' ' GLN . . . -44.11 -43.29 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.475 ' N ' HE21 ' A' ' 71' ' ' GLN . 4.5 mm-40 -65.17 -43.89 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -61.57 -22.58 65.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.922 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.0 t -79.6 -33.76 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ALA . 33.6 mt -68.64 -65.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.47 -31.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.03 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.05 -19.15 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.783 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -142.66 137.7 30.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 93' ' ' LEU . 6.8 tp -120.78 101.07 7.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.67 26.96 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.69 40.16 6.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -148.06 121.19 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.24 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 88' ' ' LEU . 14.6 mt -99.89 103.3 14.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.922 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.9 t -100.6 128.89 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -140.87 143.12 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.75 99.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.756 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -81.93 -177.92 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.4 mttp -123.09 118.48 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.661 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 29.5 m -140.0 162.52 34.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.5 m -155.92 118.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.722 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 24.4 t80 -110.3 129.38 55.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.36 129.69 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -120.03 155.03 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.43 43.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 59' ' ' CYS . 34.9 mt -78.88 150.74 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 p -85.58 139.46 31.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -56.58 -13.58 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -92.66 -26.85 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.503 ' HB2' HD23 ' A' ' 88' ' ' LEU . 28.1 t -54.0 151.92 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' GLU . 25.4 mt-10 -136.54 142.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.7 tt0 -36.3 -41.2 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.1 -65.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -50.7 -36.02 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.1 tt -65.31 -52.71 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.31 -45.76 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.74 -19.3 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' ALA . 70.8 t -83.12 -44.56 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.919 ' HB2' HD11 ' A' ' 42' ' ' LEU . 22.0 mt -77.03 -25.27 52.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.621 ' CG ' HD12 ' A' ' 42' ' ' LEU . 19.2 mt-30 -58.18 -31.12 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -51.41 -37.13 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.62 -43.29 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.02 168.89 42.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.43 119.9 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.4 mt -81.52 124.66 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.87 -46.08 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -163.04 136.63 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.5 p -124.86 112.52 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -123.15 138.18 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -117.78 124.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.0 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.731 ' C ' HD12 ' A' ' 23' ' ' LEU . 25.0 p -161.45 168.71 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.24 156.89 19.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 74.4 m-85 -120.47 138.59 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.61 173.9 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 7.8 tt0 -142.4 143.66 32.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 10.8 m-85 -103.84 162.64 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mmt -81.67 -24.74 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.4 p -133.6 132.71 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -50.95 -36.99 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.48 -24.88 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.0 -51.78 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -53.38 -40.23 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.673 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -66.32 -42.86 87.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -61.09 -29.57 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.802 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.3 t -71.03 -43.9 66.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' ALA . 52.2 mt -57.37 -66.02 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.45 -32.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.69 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.95 -29.39 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.818 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 9.5 mp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -146.33 138.34 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.9 tp -125.27 110.44 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.94 39.2 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.53 76.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -121.33 129.78 53.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -74.01 114.67 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 88' ' ' LEU . 49.5 mt -83.29 134.66 34.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.83 102.62 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.802 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.5 t -98.94 127.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -143.5 142.54 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.01 -176.25 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 66' ' ' THR . 10.4 mttt -120.77 118.2 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.615 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 40.1 m -140.37 161.48 37.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 16.1 m -158.0 123.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 59' ' ' CYS . 46.0 t80 -115.6 120.72 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.598 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.6 mp -94.43 134.12 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 46.1 mtm180 -120.46 151.99 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 71.93 42.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' C ' ' A' ' 59' ' ' CYS . 56.6 mt -77.67 158.91 29.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.13 143.14 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.48 -37.45 67.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.3 -36.0 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.1 t -49.22 147.65 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -131.6 155.17 47.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -51.1 -38.55 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -63.78 -51.98 62.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -63.75 -55.85 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -43.82 -51.6 7.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.9 45.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -52.17 -16.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' ALA . 93.2 t -84.43 -45.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.822 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.7 mt -75.19 -29.59 60.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.714 ' HG3' HD12 ' A' ' 42' ' ' LEU . 24.5 mt-30 -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -47.48 -32.08 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -84.7 -45.96 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.84 164.16 37.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.73 131.56 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 12.7 mt -94.34 112.41 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -55.59 -46.29 77.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -163.96 145.33 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -132.2 115.1 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.94 131.09 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.1 p -116.71 112.57 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.586 ' C ' HD12 ' A' ' 23' ' ' LEU . 16.2 p -160.99 155.96 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.42 162.56 38.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 22.2 m-85 -119.69 139.77 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.48 168.73 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.497 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 13.3 tt0 -142.02 123.49 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.1 m-85 -82.85 171.51 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -97.84 -4.44 36.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.478 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 20.3 p -150.88 136.07 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -46.89 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.12 -47.52 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -47.89 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.3 -51.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.548 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.6 mm-40 -60.86 -41.72 96.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -63.07 -24.61 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.759 ' SG ' HG11 ' A' ' 95' ' ' VAL . 4.4 t -78.88 -36.59 41.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.97 -26.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.06 -33.88 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.71 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.78 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -146.65 134.42 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.785 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.7 tp -120.55 109.49 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.96 39.27 13.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.78 28.87 62.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -126.71 124.79 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.717 0.294 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -71.3 106.78 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 88' ' ' LEU . 15.2 mt -79.61 123.83 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -105.39 102.28 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.759 HG11 ' SG ' ' A' ' 73' ' ' CYS . 38.9 t -97.23 126.38 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 143.09 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.02 99.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -87.04 -175.62 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 66' ' ' THR . 10.1 mttt -122.31 118.92 29.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.632 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.1 m -139.53 162.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.634 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.6 m -156.37 118.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.739 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 37.0 t80 -112.63 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp -95.43 141.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.26 156.13 43.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t30 65.76 45.91 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.74 HD12 ' CA ' ' A' ' 59' ' ' CYS . 43.7 mt -78.1 157.04 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.442 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 14.9 t -101.19 142.16 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -49.34 -37.62 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 89' ' ' ASP . 4.1 t70 -61.45 -30.74 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.5 t -54.47 155.14 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.3 mt-10 -154.56 139.89 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 28' ' ' GLU . 14.6 tt0 -34.58 -42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -55.4 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.614 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -66.89 -56.29 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -43.32 -51.54 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.2 -57.32 15.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -44.6 -23.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.0 t -76.46 -51.13 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 42' ' ' LEU . 36.4 mt -68.86 -33.65 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 42' ' ' LEU . 30.7 mt-30 -50.23 -29.25 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -51.19 -47.27 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 85.9 m-85 -66.75 -50.74 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.38 172.93 39.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.24 133.0 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 36' ' ' LEU . 22.3 mt -96.94 122.19 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.6 -46.75 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -161.22 132.15 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.51 109.46 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -121.91 135.4 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.36 114.9 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.74 ' CA ' HD12 ' A' ' 23' ' ' LEU . 15.9 p -159.28 166.91 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -159.29 156.86 29.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 68.6 m-85 -120.06 134.62 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.634 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.27 168.18 19.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -138.86 136.21 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -96.34 169.93 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 mtp -93.79 -14.65 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 50.9 p -140.75 138.9 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.14 -46.08 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 9.5 tp10 -52.11 -36.02 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -59.49 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.426 ' HB3' HE21 ' A' ' 71' ' ' GLN . . . -42.68 -44.36 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.598 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.5 mm-40 -66.1 -41.57 90.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 56.2 mttt -64.46 -25.14 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.569 ' SG ' HG11 ' A' ' 95' ' ' VAL . 18.7 t -77.59 -34.83 53.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -67.32 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.15 -26.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . -88.14 -30.57 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -38.64 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.779 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 76' ' ' ALA . 8.1 mp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.888 0.375 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -138.83 136.81 36.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.741 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.7 tp -123.07 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 4.7 m-20 61.81 32.35 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.71 40.12 27.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.442 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 11.3 mtt-85 -147.72 122.13 9.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -56.82 145.02 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.4 mt -117.41 136.79 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -115.0 107.34 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.569 HG11 ' SG ' ' A' ' 73' ' ' CYS . 46.2 t -104.47 129.22 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -141.09 145.12 35.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 99.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.33 -175.02 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -120.71 118.69 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.629 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 24.1 m -139.87 160.97 38.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.173 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 18' ' ' VAL . 7.7 m -156.58 118.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.8 t80 -111.44 125.36 53.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.602 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.7 mp -96.48 138.62 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 14.2 mtp180 -124.05 156.94 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 t30 68.11 40.81 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.671 HD12 ' CA ' ' A' ' 59' ' ' CYS . 40.8 mt -75.16 146.86 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -86.01 142.47 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.18 -35.2 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -68.51 -36.39 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' ASP . 15.6 p -35.1 147.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' GLU . 46.0 mt-10 -141.77 135.17 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLU . 24.0 tt0 -36.78 -44.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.18 -60.71 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.09 -56.73 18.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.5 tt -41.36 -50.91 3.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.33 -55.91 24.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -47.33 -22.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -79.14 -37.88 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.761 ' HB2' HD11 ' A' ' 42' ' ' LEU . 31.0 mt -85.86 -24.04 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.556 ' HG3' HD12 ' A' ' 42' ' ' LEU . 45.1 mt-30 -59.02 -30.96 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 1.9 pt20 -48.89 -47.33 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 82.7 m-85 -69.25 -54.68 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.67 169.69 33.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.44 121.09 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 36' ' ' LEU . 17.3 mt -78.25 118.21 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -60.9 -38.86 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -166.74 132.35 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.8 p -119.15 115.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -133.87 129.81 36.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.77 124.01 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.671 ' CA ' HD12 ' A' ' 23' ' ' LEU . 13.4 m -145.09 168.57 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.75 161.83 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -124.17 137.88 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.34 170.11 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -138.27 148.24 44.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -108.77 171.84 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mtp -96.29 -14.17 22.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -138.93 140.0 38.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.5 -47.56 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -52.96 -37.97 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -52.39 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.43 -50.4 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.647 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -57.87 -48.52 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -56.56 -27.19 57.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.727 ' SG ' HG11 ' A' ' 95' ' ' VAL . 11.8 t -78.34 -35.23 47.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.36 -62.31 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.04 -29.38 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 -38.4 22.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -34.74 74.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.768 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -141.07 129.7 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.612 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.1 tp -115.11 99.77 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.67 33.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.23 20.17 63.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -120.32 126.0 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 111.68 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 88' ' ' LEU . 40.9 mt -80.46 111.97 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -92.55 105.15 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.6 t -101.24 127.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.64 144.84 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 99.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.46 179.84 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 67' ' ' GLN . 4.6 mttp -118.3 118.33 31.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.763 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.7 m -140.0 161.24 38.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.778 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.6 m -152.84 119.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.619 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 48.2 t80 -112.74 124.98 53.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -98.6 134.39 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 37.3 mtp180 -118.46 149.28 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 t30 72.17 49.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 59' ' ' CYS . 38.9 mt -82.55 150.74 26.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -90.47 139.72 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.19 -41.27 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.57 -30.15 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 p -45.63 152.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.1 mt-10 -139.37 136.51 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLU . 17.6 tt0 -37.22 -44.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.57 -57.67 11.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.78 -51.95 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -45.19 -54.8 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.63 90.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -51.35 -22.12 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' CG1' HD23 ' A' ' 86' ' ' LEU . 86.2 t -80.62 -51.39 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' SG ' ' A' ' 73' ' ' CYS . 28.2 mt -71.31 -22.82 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' CG ' HD12 ' A' ' 42' ' ' LEU . 11.9 mt-30 -56.63 -23.79 43.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 5.7 pt20 -65.69 -32.22 73.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 68.1 m-85 -94.08 22.58 5.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.68 155.51 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.74 141.47 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -100.53 129.99 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -72.67 -50.07 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -151.98 135.57 16.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -124.68 109.38 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -124.16 135.33 53.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 60' ' ' ALA . 6.4 p -115.86 110.89 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.654 ' C ' HD12 ' A' ' 23' ' ' LEU . 1.3 p -161.74 147.66 13.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -152.76 159.74 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 57.7 m-85 -121.89 135.26 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.4 177.86 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.1 tt0 -148.51 139.85 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 13.9 m-85 -101.2 171.99 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 mmt -82.5 -33.81 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 27.0 p -132.6 143.11 49.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.469 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 93.9 mt-30 -47.45 -52.27 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -46.07 -41.76 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.8 -60.83 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -45.77 -35.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.8 mm-40 -68.52 -40.36 80.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -64.33 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.868 ' SG ' HD22 ' A' ' 36' ' ' LEU . 10.4 t -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 48.8 mt -68.58 -68.48 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -74.38 -31.84 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.21 -33.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD23 ' CG1' ' A' ' 35' ' ' VAL . 8.3 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -141.25 128.93 21.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.694 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.3 tp -116.05 131.94 56.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 48.6 29.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.04 34.71 32.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -138.7 129.23 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.06 139.91 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 88' ' ' LEU . 19.6 mt -113.36 132.81 55.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -109.83 105.32 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.852 HG11 ' SG ' ' A' ' 73' ' ' CYS . 27.8 t -97.53 131.41 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 23.3 t0 -145.43 142.55 29.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.6 99.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.763 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -80.82 176.92 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 99' ' ' VAL . 7.8 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.8 mttp -121.26 118.37 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.651 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.2 m -140.15 162.74 34.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.713 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.6 m -158.12 118.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 27.2 t80 -111.74 124.8 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.95 134.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 45.4 mtp85 -120.09 150.79 40.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.76 53.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CA ' ' A' ' 59' ' ' CYS . 62.9 mt -94.52 151.93 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 145.19 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.35 -40.07 70.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 27' ' ' SER . 2.3 p30 -60.05 -37.47 79.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.451 ' HB2' HD23 ' A' ' 88' ' ' LEU . 41.4 t -47.61 139.16 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' GLU . 16.4 mt-10 -120.73 141.89 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLU . 10.1 tt0 -37.17 -33.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.6 mt-10 -72.82 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -49.56 -32.53 12.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.4 tt -70.6 -51.81 25.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.98 94.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -53.58 -23.98 12.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 31' ' ' ALA . 20.6 t -78.81 -40.6 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 42' ' ' LEU . 57.5 mt -78.67 -28.47 45.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 42' ' ' LEU . 24.6 mt-30 -57.73 -37.51 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -44.24 -33.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -80.54 -53.55 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.55 162.38 34.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.2 131.19 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.6 mt -95.47 130.1 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -72.54 -43.85 62.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -163.81 146.27 9.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.19 107.62 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -119.77 134.59 55.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.22 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' CA ' HD12 ' A' ' 23' ' ' LEU . 29.1 p -157.4 162.42 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.07 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 56.7 m-85 -114.62 136.58 52.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.713 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.54 174.36 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.9 tt0 -145.45 137.18 25.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.841 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 m-85 -98.49 164.68 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.2 mtp -85.26 -20.5 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.445 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 39.0 p -140.45 132.24 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -43.54 -51.79 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.81 -40.58 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.841 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -57.11 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.65 -45.99 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.712 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -61.56 -46.56 89.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.56 -24.69 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.944 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.3 t -79.29 -31.42 43.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 28.2 mt -75.17 -63.25 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.79 -36.18 18.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.71 80.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.874 0.368 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -146.76 141.47 26.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 27' ' ' SER . 4.4 tp -121.36 98.68 6.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 70.07 49.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.12 32.92 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -132.67 120.39 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -71.47 117.52 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 23' ' ' LEU . 10.5 mt -88.8 124.61 34.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -101.02 102.34 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.944 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.6 t -96.89 128.71 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -143.21 143.37 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.76 99.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.651 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.8 -177.16 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 6.1 mttp -125.87 118.36 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 53.7 m -140.07 163.51 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.599 ' N ' HG22 ' A' ' 17' ' ' THR . 6.8 m -158.09 118.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.9 t80 -111.14 121.85 46.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 23' ' ' LEU . 3.7 mp -95.58 138.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -125.71 157.95 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 t30 64.46 49.27 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 59' ' ' CYS . 44.7 mt -87.87 149.64 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 5.3 t -89.59 128.3 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -55.4 -41.37 72.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' SER . 41.2 t -39.43 157.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.2 mt-10 -145.94 136.29 23.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLU . 20.1 tt0 -34.97 -42.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.89 -60.39 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.936 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.15 -52.6 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -49.41 -50.32 41.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.64 -56.43 24.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -51.95 -16.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 31' ' ' ALA . 59.5 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.855 ' HB2' HD11 ' A' ' 42' ' ' LEU . 24.3 mt -94.1 -39.08 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' C ' ' CD ' ' A' ' 37' ' ' GLN . 4.3 pp0? -50.25 -18.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -57.52 -44.93 85.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.433 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.7 m-85 -75.26 -24.85 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.25 141.01 4.07 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -46.69 118.86 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 36' ' ' LEU . 28.6 mt -75.31 141.05 43.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -86.2 -44.66 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -158.65 124.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -116.82 117.9 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -129.62 136.89 50.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.1 p -119.31 117.44 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' C ' HD12 ' A' ' 23' ' ' LEU . 73.0 m -153.39 153.13 31.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.03 153.13 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 33.5 m-85 -117.58 132.53 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.95 174.18 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -139.9 146.8 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.789 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -105.93 171.05 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 mmt -85.84 -32.19 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.1 p -130.19 145.62 51.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.08 -50.1 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -51.57 -38.31 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.789 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -51.86 -58.51 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.43 -52.94 51.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.636 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -55.26 -39.86 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.7 t -74.36 -38.93 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' ALA . 68.0 mt -59.37 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.31 -27.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.75 -27.76 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.57 -33.94 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -144.22 127.5 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.1 tp -119.43 101.29 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t0 73.12 41.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.41 37.35 79.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -142.5 120.81 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -62.26 123.65 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 88' ' ' LEU . 47.6 mt -89.48 123.88 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -104.56 103.29 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' O ' HD22 ' A' ' 74' ' ' LEU . 29.6 t -103.96 127.0 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -138.59 145.04 40.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.07 100.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.87 -175.3 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 5.0 mttp -119.45 117.9 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.666 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 55.0 m -140.37 152.78 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.749 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.3 m -148.61 118.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 40.9 t80 -110.36 125.93 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -100.18 137.3 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.0 mtt180 -123.96 169.92 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.4 t30 54.82 42.92 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 59' ' ' CYS . 60.8 mt -77.38 155.58 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.4 p -98.42 132.71 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.06 -31.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.85 -37.92 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 t -45.91 162.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.29 165.24 30.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.99 -35.77 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.15 -56.87 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.81 -53.76 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.749 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -42.83 -54.12 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.22 -54.59 35.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -46.1 -21.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' ALA . 78.3 t -79.05 -43.99 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.967 ' HB2' HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.26 -37.49 57.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.754 ' HG3' HD12 ' A' ' 42' ' ' LEU . 53.4 mt-30 -46.19 -42.32 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pt20 -37.99 -39.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 81.9 m-85 -80.11 -48.29 13.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.5 152.06 21.55 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -48.89 128.85 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.1 mt -89.83 114.52 26.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -55.26 -41.66 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -164.19 146.72 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.46 112.16 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -126.22 132.17 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.5 p -117.6 110.29 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.538 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.3 p -161.43 152.38 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.558 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.88 155.74 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 27.6 m-85 -119.16 134.93 54.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.68 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.5 tt0 -144.56 131.94 20.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 10.6 m-85 -90.03 169.88 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.51 -24.5 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.471 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 17.8 p -140.97 145.86 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 7.8 mm-40 -51.5 -49.75 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -46.45 -42.53 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.03 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -42.27 -45.0 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.739 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -64.68 -40.98 96.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -64.42 -25.83 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' HG11 ' A' ' 95' ' ' VAL . 15.3 t -79.17 -37.22 38.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 96' ' ' ASP . 96.0 mt -62.1 -60.29 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.06 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -76.95 -31.28 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.59 -37.0 57.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.789 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 10.8 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -147.51 144.55 28.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -135.57 110.9 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.62 29.89 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.76 26.27 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -127.2 120.95 29.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.94 107.15 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.95 132.46 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.68 102.44 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.691 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.4 t -100.55 129.83 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.0 t70 -144.84 143.63 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.94 -177.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.7 mttp -123.59 118.82 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.736 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 32.4 m -139.69 162.61 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.944 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 4.7 m -156.08 118.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 53.9 t80 -111.22 128.08 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 32' ' ' LEU . 3.7 mp -99.73 132.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.4 mtp85 -119.54 150.1 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 70.98 47.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.754 HD12 ' CA ' ' A' ' 59' ' ' CYS . 51.2 mt -78.98 148.55 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.401 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 4.3 t -81.89 144.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.81 -15.98 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.49 -19.01 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.616 ' OG ' HD23 ' A' ' 88' ' ' LEU . 67.0 m -51.83 155.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.53 159.19 44.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.97 -35.91 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.95 -52.1 47.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -65.39 -56.54 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.715 HD11 HD13 ' A' ' 20' ' ' ILE . 5.3 tt -40.78 -53.73 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.23 -47.52 90.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.88 -14.46 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 88' ' ' LEU . 99.5 t -89.18 -27.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 42' ' ' LEU . 65.4 mt -97.54 -22.14 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.662 ' CG ' HD12 ' A' ' 42' ' ' LEU . 22.1 mt-30 -61.04 -36.31 79.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.73 -37.58 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -74.96 -49.09 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.16 174.58 42.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.19 127.94 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 36' ' ' LEU . 14.0 mt -93.41 105.02 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -47.58 -49.62 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -159.05 136.31 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.61 104.81 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -117.12 134.07 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.71 110.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.8 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.754 ' CA ' HD12 ' A' ' 23' ' ' LEU . 6.7 m -154.35 163.38 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -153.62 166.69 31.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 23.1 m-85 -127.33 137.3 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.06 169.49 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -145.08 126.17 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.836 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 19.9 m-85 -87.64 171.67 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -94.03 -22.51 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 20.0 p -132.87 133.06 42.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.88 -51.51 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -49.68 -37.79 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.836 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.27 -63.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.38 -48.56 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -61.14 -42.39 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -62.17 -21.86 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 95' ' ' VAL . 3.5 t -82.34 -32.75 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 95' ' ' VAL . 39.4 mt -69.49 -66.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.67 -32.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.21 -36.26 27.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.27 -22.49 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -139.73 135.54 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.805 ' HB2' HD11 ' A' ' 93' ' ' LEU . 1.7 tp -116.47 104.7 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 64.21 30.26 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.76 17.99 57.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 20.5 mmt180 -122.36 117.73 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -59.93 130.5 47.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 88' ' ' LEU . 27.3 mt -104.14 133.86 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -110.63 104.89 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 73' ' ' CYS . 35.6 t -97.62 126.73 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -139.96 142.56 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.736 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.47 -176.21 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -122.24 118.41 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.631 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 35.0 m -139.95 162.76 34.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.7 m -158.17 118.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.2 t80 -112.91 125.22 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.3 mp -95.91 140.08 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.9 mtp85 -123.27 152.28 41.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t30 69.04 45.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 59' ' ' CYS . 25.9 mt -72.94 156.89 38.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -100.74 139.07 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -51.8 -28.61 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -72.32 -33.92 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.855 ' OG ' HD23 ' A' ' 88' ' ' LEU . 34.1 m -49.1 156.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -149.36 140.15 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -38.34 -40.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.21 81.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.04 -56.97 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -40.07 -56.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.89 -44.51 98.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.37 -17.57 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 88' ' ' LEU . 84.2 t -89.75 -40.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 42' ' ' LEU . 33.3 mt -84.45 -9.84 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 13.5 mt-30 -71.8 -32.69 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 3.8 pt20 -49.61 -51.08 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 59.2 m-85 -57.75 -57.29 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.76 -174.72 23.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.21 120.94 22.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 37' ' ' GLN . 16.3 mt -79.52 131.78 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -81.48 -51.7 8.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.2 p90 -154.56 127.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.7 p -116.29 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -122.06 133.19 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 60' ' ' ALA . 4.3 p -119.33 113.29 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.909 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.693 ' C ' HD12 ' A' ' 23' ' ' LEU . 22.1 p -159.04 170.51 21.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.52 159.49 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 47.0 m-85 -122.81 132.37 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 169.39 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.3 tt0 -138.18 140.38 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 12.8 m-85 -98.67 171.91 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 mmt -94.91 -12.2 27.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -144.9 142.01 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.82 -49.07 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -51.5 -42.76 61.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.28 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.78 -55.57 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.1 mm-40 -53.55 -43.99 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -61.53 -26.18 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 95' ' ' VAL . 1.7 t -79.74 -27.08 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -75.25 -67.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.61 -34.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.12 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.11 -38.3 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.78 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -146.87 127.78 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.945 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -117.26 120.9 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.6 26.15 15.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.91 32.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -139.37 129.22 24.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -58.87 140.58 55.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' HB2' ' A' ' 88' ' ' LEU . 33.7 mt -112.51 116.8 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -98.7 105.3 17.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 73' ' ' CYS . 58.7 t -101.44 128.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.98 144.89 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 100.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.61 -176.55 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.0 mttp -124.34 118.97 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.722 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 34.1 m -139.47 162.62 34.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.834 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -157.24 118.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 3.0 t80 -111.48 124.72 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 60' ' ' ALA . 2.3 mp -99.69 130.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ASN . 7.8 ttp180 -107.31 -176.19 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 35.1 t30 34.12 54.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 59' ' ' CYS . 15.2 mt -82.28 149.05 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.78 143.67 39.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -67.41 -15.82 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.22 -17.11 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -56.77 151.22 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -134.37 141.95 47.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 45' ' ' VAL . 11.6 tt0 -38.9 -41.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.91 -59.6 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.88 -54.59 44.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -45.03 -49.33 11.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.12 -48.7 67.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.5 -18.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.8 t -83.01 -45.97 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 42' ' ' LEU . 16.9 mt -77.5 -19.26 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.685 ' HG3' HD12 ' A' ' 42' ' ' LEU . 28.3 mt-30 -60.74 -38.25 84.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -41.84 -44.61 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -71.09 -58.68 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.24 169.17 31.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.52 117.44 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.8 mt -76.52 122.82 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -65.69 -48.66 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.2 p90 -155.73 136.6 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 29' ' ' GLU . 1.6 p -123.96 115.88 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -128.57 134.95 48.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.84 110.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 59' ' ' CYS . 6.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -161.84 143.3 11.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -142.73 143.08 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' CE2' ' HD2' ' A' ' 19' ' ' PHE . 20.6 m-85 -101.77 138.36 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.834 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.75 168.76 19.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.8 tt0 -141.29 141.14 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.856 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -101.8 172.01 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mmt -88.81 -28.2 20.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 22.4 p -131.31 145.48 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -53.33 -50.24 65.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.75 -38.66 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.58 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.676 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -57.78 -45.3 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -58.46 -27.5 64.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.961 ' SG ' HG11 ' A' ' 95' ' ' VAL . 9.7 t -76.25 -33.18 59.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 95' ' ' VAL . 23.2 mt -68.02 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.68 -28.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.97 -35.07 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 -28.62 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.784 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -134.44 141.37 46.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.3 tp -124.55 109.8 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.98 28.28 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.01 26.57 31.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -124.63 129.63 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -76.14 106.27 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 88' ' ' LEU . 14.3 mt -80.23 128.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -107.34 103.64 13.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.961 HG11 ' SG ' ' A' ' 73' ' ' CYS . 45.3 t -97.39 122.95 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.91 144.64 41.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.93 100.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.39 -175.63 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' THR . 11.2 mttt -122.42 118.63 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.9 m -139.74 162.85 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.579 ' N ' HG22 ' A' ' 17' ' ' THR . 7.3 m -158.3 119.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 40.3 t80 -113.06 123.91 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.89 132.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -119.57 148.48 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 72.03 51.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.73 HD12 ' CA ' ' A' ' 59' ' ' CYS . 66.0 mt -79.23 164.97 23.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.425 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 2.9 t -103.72 143.08 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -50.54 -39.05 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -36.33 84.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 p -41.67 147.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ALA . 17.2 mt-10 -145.66 135.39 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 tt0 -35.26 -41.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -62.72 -47.91 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.95 -55.93 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -39.25 -51.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.49 -56.55 23.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -43.09 -25.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 31' ' ' ALA . 34.5 t -77.56 -50.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.853 ' HB2' HD11 ' A' ' 42' ' ' LEU . 56.1 mt -75.67 -16.51 60.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 42' ' ' LEU . 10.5 mt-30 -68.04 -19.54 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.5 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -66.98 -56.1 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.18 175.04 34.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.89 122.81 17.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.352 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.2 mt -82.36 114.56 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -59.71 -47.07 87.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -160.91 140.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -127.9 112.66 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -128.89 129.72 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -115.47 124.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 48' ' ' VAL . 7.5 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.73 ' CA ' HD12 ' A' ' 23' ' ' LEU . 31.2 p -157.81 165.31 35.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.59 153.34 26.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.4 m-85 -116.29 135.8 53.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.67 168.83 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -136.52 137.19 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 9.8 m-85 -94.46 170.79 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.04 -6.57 38.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 25.0 p -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -53.11 -47.58 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.11 -37.61 64.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -57.28 -61.73 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -44.78 -52.05 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.582 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -57.38 -45.34 84.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.75 -26.19 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.777 ' SG ' HG11 ' A' ' 95' ' ' VAL . 20.4 t -78.16 -30.93 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.9 mt -71.06 -67.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.54 -30.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.71 -34.53 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -70.11 -27.79 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -138.35 133.7 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.777 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -115.6 100.83 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.5 27.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.29 18.87 54.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 30.4 mmt-85 -117.83 116.68 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -61.23 118.85 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 88' ' ' LEU . 18.9 mt -95.02 136.4 35.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -114.86 102.98 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.777 HG11 ' SG ' ' A' ' 73' ' ' CYS . 44.5 t -97.12 123.9 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -136.74 144.01 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.88 100.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.39 174.45 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 66' ' ' THR . 9.9 mttt -119.32 118.32 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.746 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 33.7 m -140.1 162.92 34.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.878 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.1 m -156.59 128.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 59' ' ' CYS . 62.0 t80 -120.2 119.55 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -97.0 132.82 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.15 173.79 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 t30 48.38 54.98 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD21 ' CG2' ' A' ' 20' ' ' ILE . 18.9 mt -86.18 143.13 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.4 t -78.21 142.12 38.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.2 -17.15 57.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.88 -15.51 29.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' HD23 ' A' ' 88' ' ' LEU . 20.2 m -63.32 155.34 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -133.41 169.73 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.05 -35.8 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.9 -44.76 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.76 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -50.62 -53.32 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.44 -49.9 72.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -50.23 -20.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 88' ' ' LEU . 45.3 t -86.3 -37.26 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.6 mt -90.03 -1.13 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 14.7 mt-30 -81.03 -39.11 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.2 pt20 -41.41 -45.95 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -63.82 -58.46 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.25 -166.57 13.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -84.88 119.03 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.951 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -82.05 126.5 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -71.63 -58.54 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.1 p90 -148.43 129.91 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 p -116.46 113.26 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.3 138.59 52.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -116.01 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.8 m -156.53 157.54 35.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -153.29 162.87 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 79.3 m-85 -122.58 142.36 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.878 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -142.11 171.02 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -142.23 133.75 26.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.2 m-85 -96.79 164.49 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mmt -87.27 -16.8 34.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 22.1 p -138.03 144.66 41.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 6.5 mm-40 -60.53 -43.83 96.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.73 -30.24 65.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -62.47 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.71 -47.63 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.612 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -60.55 -38.04 83.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.96 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 36' ' ' LEU . 44.2 t -75.99 -41.75 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 86.0 mt -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.14 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -27.9 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.91 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -139.64 127.4 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.941 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.5 tp -106.79 98.58 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.26 38.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.02 9.47 87.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -110.87 118.23 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.67 123.53 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.9 mt -97.0 129.23 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.91 102.16 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.44 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.7 t -96.71 126.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -140.98 141.83 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.32 99.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.746 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.65 150.14 32.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.2 mttp -121.0 118.61 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.775 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 25.0 m -139.98 162.41 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.803 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.1 m -154.54 120.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 30.3 t80 -112.83 118.77 35.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.41 132.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -118.59 161.95 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 64.04 48.81 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 59' ' ' CYS . 84.3 mt -85.68 147.53 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -86.93 143.06 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -52.16 -26.06 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -75.16 -32.89 61.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.3 t -48.47 159.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -148.97 175.57 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -72.52 -35.5 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.79 -48.57 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.16 -50.4 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.3 tt -48.24 -59.33 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.25 -48.09 82.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.537 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -52.74 -20.07 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' ALA . 80.3 t -81.26 -46.73 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.784 HD22 ' SG ' ' A' ' 73' ' ' CYS . 80.1 mt -74.82 -27.29 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.798 ' HG3' HD12 ' A' ' 42' ' ' LEU . 17.9 mt-30 -53.82 -32.07 51.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 3.0 pt20 -53.12 -39.67 63.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -73.51 -39.95 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.37 157.7 21.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.541 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.37 144.21 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.798 HD12 ' HG3' ' A' ' 37' ' ' GLN . 14.6 mt -110.8 111.48 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -57.61 -54.69 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -152.1 130.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.95 111.9 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -123.75 131.19 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -117.79 120.61 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 59' ' ' CYS . 4.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.64 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.9 m -132.97 174.3 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -155.09 153.81 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 20.8 m-85 -119.31 135.19 54.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.21 167.43 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -135.74 143.71 45.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.893 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 9.4 m-85 -105.41 171.89 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.0 mmt -95.39 -21.38 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 38.6 p -137.6 130.08 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.83 -53.97 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -48.5 -35.84 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.1 -64.3 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.65 -46.59 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.54 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.4 mm-40 -60.38 -41.77 94.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -61.85 -25.04 67.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.784 ' SG ' HD22 ' A' ' 36' ' ' LEU . 5.2 t -79.94 -35.18 38.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 95' ' ' VAL . 41.3 mt -68.42 -65.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.34 -27.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.87 -31.45 17.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.07 -28.56 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.796 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -142.39 138.59 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.9 tp -115.13 101.3 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 73.26 25.31 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.48 34.19 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.31 129.59 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -73.98 107.86 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 88' ' ' LEU . 6.0 mt -83.93 125.48 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -97.9 102.23 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.8 t -99.47 123.65 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.092 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.29 144.68 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 99.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.22 163.81 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 3.6 mttp -122.28 118.52 28.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 44.2 m -140.03 162.98 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.584 ' N ' HG22 ' A' ' 17' ' ' THR . 7.5 m -157.04 118.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 14.1 t80 -112.48 124.26 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.1 mp -95.88 134.66 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -119.88 149.52 41.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.68 45.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.8 mt -80.68 150.31 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -98.53 136.53 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -51.18 -39.2 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.84 -26.7 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.554 ' HB2' HD23 ' A' ' 88' ' ' LEU . 40.7 t -62.17 168.66 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -147.17 134.9 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.818 ' HG2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.67 -48.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.1 -59.28 5.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.25 -56.05 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.0 tt -39.43 -52.25 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.67 -58.8 11.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -40.86 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.9 t -76.88 -48.67 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD11 ' A' ' 42' ' ' LEU . 52.7 mt -71.89 -28.37 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.671 ' CG ' HD12 ' A' ' 42' ' ' LEU . 37.7 mt-30 -54.38 -33.78 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -45.61 -42.75 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -74.45 -41.04 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.53 152.19 18.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.25 116.14 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -75.45 125.01 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.489 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 16.8 tptp -64.15 -42.43 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -158.82 144.35 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 29' ' ' GLU . 2.8 p -130.36 118.84 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -135.93 136.25 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.7 p -119.62 121.73 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 59' ' ' CYS . 5.8 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.668 ' O ' HG12 ' A' ' 48' ' ' VAL . 32.0 p -160.61 155.91 24.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -150.59 155.08 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 42.3 m-85 -118.69 137.07 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.33 178.31 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.62 ' O ' HD23 ' A' ' 42' ' ' LEU . 27.6 tt0 -146.21 153.86 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 15.9 m-85 -114.77 170.24 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.489 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 5.1 mmt -85.71 -29.08 24.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.466 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 58.7 p -138.05 135.5 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 72.1 mt-30 -40.9 -53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.54 -44.78 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -54.39 -55.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.69 -48.18 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.653 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.8 mm-40 -59.72 -39.82 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.35 -33.7 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.8 t -67.85 -35.84 79.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.71 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.45 -33.59 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -30.28 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.66 9.41 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 -179.752 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -143.13 128.82 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.735 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -116.65 105.73 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 69.34 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.48 78.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -136.09 123.7 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -70.88 106.89 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 88' ' ' LEU . 12.2 mt -80.78 132.57 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -108.14 102.4 11.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -96.33 133.09 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.64 144.44 30.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.77 103.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.731 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.83 -178.58 6.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 66' ' ' THR . 4.4 mttp -129.72 118.67 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.723 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 84.4 m -139.87 161.11 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.4 m -154.63 118.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.697 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 43.5 t80 -110.67 124.3 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -99.23 129.88 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 41.0 mtm180 -116.46 148.39 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 72.83 49.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' CA ' ' A' ' 59' ' ' CYS . 36.4 mt -85.27 160.81 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 p -100.12 136.07 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.73 -45.57 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.02 -36.48 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 p -43.29 151.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -139.0 138.4 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 14.1 tt0 -38.6 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -69.11 -60.31 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.97 -52.31 65.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -45.32 -53.14 8.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.35 -59.01 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -40.61 -24.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -77.11 -51.75 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.1 mt -69.43 -27.95 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.707 ' HG3' HD12 ' A' ' 42' ' ' LEU . 32.3 mt-30 -53.77 -41.48 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -38.35 -42.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -75.66 -48.91 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.36 154.65 25.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.02 122.48 11.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -81.06 125.05 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -68.0 -44.39 76.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -159.6 129.42 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -119.37 111.6 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.23 137.75 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -118.7 121.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.9 p -147.38 167.24 24.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -158.07 155.78 29.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.5 m-85 -119.47 133.2 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 171.62 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.36 142.25 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.83 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 20.5 m-85 -102.41 171.87 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mmt -89.53 -25.61 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.9 p -133.51 138.82 46.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -48.65 -50.47 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -50.9 -38.07 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.7 -60.39 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.41 32.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.736 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.0 OUTLIER -61.07 -46.48 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -58.53 -31.52 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.747 ' SG ' HG11 ' A' ' 95' ' ' VAL . 7.1 t -72.96 -31.75 64.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 93.3 mt -67.41 -65.92 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -26.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.37 22.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.85 -37.29 59.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.77 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.871 0.367 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -147.71 132.24 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.582 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.4 tp -116.86 99.22 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.6 27.63 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.35 25.84 35.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -126.5 120.62 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.42 120.29 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mt -94.25 132.14 39.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -110.05 102.6 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.747 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.0 t -97.48 127.21 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.9 t70 -141.59 142.91 33.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 100.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.723 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.32 -176.7 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 3.8 mttp -126.75 118.68 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.77 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 54.7 m -139.77 160.72 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.615 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.8 m -154.45 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.747 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 52.2 t80 -112.7 121.98 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 32' ' ' LEU . 3.1 mp -95.86 138.66 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 26.2 mtp180 -121.69 158.77 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t30 66.52 37.77 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.683 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.4 mt -70.25 148.8 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -93.2 138.72 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -53.05 -22.9 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.96 -35.99 59.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 48.2 t -49.77 162.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 143.83 23.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' CG ' HG22 ' A' ' 45' ' ' VAL . 15.4 tt0 -38.85 -40.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -58.29 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -61.24 -57.02 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -39.31 -58.82 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.98 -48.1 81.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.76 -19.32 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' ALA . 58.7 t -87.29 -32.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.811 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.3 mt -88.52 -19.03 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.81 ' CG ' HD12 ' A' ' 42' ' ' LEU . 27.0 mt-30 -67.49 -28.43 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -49.84 -43.88 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -69.18 -49.41 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.87 179.77 38.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.98 127.56 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.7 mt -89.96 119.34 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' ' NE2' ' A' ' 63' ' ' GLN . 17.8 tptm -61.25 -46.09 91.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -162.97 135.32 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.408 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.2 p -120.65 112.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.33 134.64 52.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 60' ' ' ALA . 3.8 p -118.13 126.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.2 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.683 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.0 p -156.81 166.32 33.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -150.49 164.92 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.747 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 48.7 m-85 -128.84 133.6 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -133.76 171.82 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 43' ' ' LYS . 3.7 tt0 -139.65 138.33 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.914 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -97.85 171.89 8.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mtp -95.07 -20.05 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.424 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 9.2 p -135.95 129.51 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.25 -50.07 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 12.5 tp10 -50.59 -40.74 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.914 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.13 -63.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.03 -43.63 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.7 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.6 mm-40 -65.67 -37.12 85.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 67.6 mttt -68.89 -23.91 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.36 -35.55 27.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 60.9 mt -67.32 -61.21 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.02 -33.21 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.06 -28.33 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.08 -12.01 59.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.823 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -147.47 148.01 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -129.99 97.85 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.95 40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.95 13.89 82.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -114.74 128.3 56.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -71.84 113.3 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 88' ' ' LEU . 32.7 mt -83.85 106.82 15.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -90.72 102.62 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 18.4 t -100.45 130.15 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 11.6 t70 -141.79 144.56 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.92 100.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.77 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -82.76 -178.6 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -153.91 174.76 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -164.09 128.94 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.08 -110.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p 53.09 40.97 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.891 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 m -90.5 166.3 13.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.21 141.31 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -88.6 150.9 47.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 125.77 12.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -109.87 108.62 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -122.3 170.83 9.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -102.25 131.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -136.68 166.12 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -79.3 93.27 5.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -135.34 45.29 1.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.4 mttp -121.88 119.1 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.718 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.0 m -139.49 162.29 35.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.769 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.2 m -156.15 118.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.642 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 57.6 t80 -110.89 126.53 54.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 32' ' ' LEU . 2.6 mp -99.56 132.52 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 36.6 mtp180 -118.67 158.02 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.1 t30 64.56 39.63 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CA ' ' A' ' 59' ' ' CYS . 35.3 mt -72.67 150.21 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.462 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 15.2 t -97.92 144.73 27.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -48.88 -30.63 6.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.74 -32.06 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.8 t -56.4 141.9 40.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.38 150.53 44.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.53 -37.77 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -65.84 -59.1 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.98 -57.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.677 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -39.14 -58.46 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.36 -49.21 65.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.48 -17.74 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' ALA . 82.3 t -85.96 -31.52 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.693 ' HB2' HD11 ' A' ' 42' ' ' LEU . 46.1 mt -96.22 -8.62 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.782 ' HG3' HD12 ' A' ' 42' ' ' LEU . 9.3 mt-30 -73.17 -34.11 65.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -47.43 -45.36 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.14 -43.36 92.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.65 175.46 45.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.38 131.81 48.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 37' ' ' GLN . 13.6 mt -96.09 126.3 41.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -69.24 -49.43 56.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -159.25 136.72 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.3 p -124.08 112.21 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -126.9 135.29 50.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.75 114.88 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 59' ' ' CYS . 7.2 p -59.04 143.33 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -120.53 159.7 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 1.9 t-80 -56.39 140.65 72.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 53.4 Cg_endo -69.79 -30.13 22.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -80.23 -61.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.675 HG21 ' CD2' ' A' ' 55' ' ' HIS . 5.8 t -117.56 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.14 35.38 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.675 ' CD2' HG21 ' A' ' 53' ' ' THR . 2.9 m-70 -75.39 121.17 21.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.1 m -60.34 100.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HD3' HG22 ' A' ' 48' ' ' VAL . 17.6 mtpp -59.99 151.1 27.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.2 45.9 2.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.661 ' CA ' HD12 ' A' ' 23' ' ' LEU . 1.7 p -161.65 144.2 11.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -149.51 156.46 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.642 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 49.9 m-85 -122.92 134.15 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.769 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.14 171.23 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.2 tt0 -141.34 141.15 33.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.897 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 14.7 m-85 -101.74 170.53 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mtp -92.67 -17.3 24.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.42 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.4 p -139.97 139.82 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.77 -48.13 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -53.03 -36.51 60.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.897 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.68 -64.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.84 -44.6 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.7 mm-40 -62.33 -38.36 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -63.92 -28.88 70.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.949 ' SG ' HG11 ' A' ' 95' ' ' VAL . 14.5 t -73.17 -39.72 65.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -60.21 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.6 -24.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -89.61 -36.34 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -75.76 -11.97 60.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -90.34 96.34 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -52.36 -21.57 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 80' ' ' GLU . 5.4 tm-20 -71.28 -44.58 64.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.24 171.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.37 101.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.12 72.01 0.58 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.96 -137.33 4.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.62 116.87 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 77' ' ' ALA . 9.5 mp -102.32 155.19 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -145.39 140.58 27.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.1 tp -137.43 109.11 7.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.1 t70 69.38 41.17 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.96 30.62 72.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 29.7 mtt180 -142.28 122.27 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.96 149.19 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 88' ' ' LEU . 20.4 mt -118.26 129.61 55.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -107.26 104.66 14.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.949 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -100.3 123.1 52.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -137.51 144.38 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.08 100.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.718 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.31 -179.92 7.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.9 p -161.08 139.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 p -90.99 89.11 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -94.05 150.2 20.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -122.74 101.47 7.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.3 99.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -173.03 125.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -166.49 157.66 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.3 p -96.05 137.74 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -96.49 144.45 17.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 133.88 26.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.6 m -66.68 173.64 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.5 p -129.02 170.36 13.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -97.74 91.76 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -64.56 -58.75 5.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -162.67 -128.79 0.97 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' GLY . 75.1 p 35.02 42.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -86.61 -57.2 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.83 64.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 pp -46.84 144.05 3.96 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 115.9 4.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -91.22 -51.9 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.98 141.69 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 13' ' ' THR . 34.8 m -115.07 -42.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 12' ' ' VAL . 39.3 m -38.51 144.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -92.98 86.53 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.86 44.85 1.16 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 66' ' ' THR . 6.2 mttp -119.57 118.32 30.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.65 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 30.3 m -140.12 162.26 35.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.956 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 10.9 m -157.84 118.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 41.6 t80 -112.01 123.41 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.476 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.44 134.92 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -121.66 149.69 42.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t30 71.21 50.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 59' ' ' CYS . 42.9 mt -76.97 165.61 24.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -99.42 144.26 28.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -61.66 -16.69 50.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -89.6 -25.97 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.3 m -61.66 151.5 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' GLU . 9.3 mt-10 -141.6 147.49 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' GLU . 15.2 tt0 -34.48 -39.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -65.55 -63.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -52.96 -47.64 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.7 tt -49.31 -54.9 14.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -62.68 -55.17 28.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -42.66 -24.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG21 HD13 ' A' ' 88' ' ' LEU . 78.4 t -78.33 -57.76 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.974 ' HB2' HD11 ' A' ' 42' ' ' LEU . 51.3 mt -61.35 -31.93 71.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 42' ' ' LEU . 12.6 mt-30 -55.22 -14.49 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 4.4 pt20 -64.2 -44.71 91.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.545 ' HE1' HD21 ' A' ' 86' ' ' LEU . 78.4 m-85 -75.04 -37.77 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -177.33 154.3 15.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.3 158.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.974 HD11 ' HB2' ' A' ' 36' ' ' LEU . 13.4 mt -122.91 113.84 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -53.35 -50.37 65.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -158.6 141.04 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.31 105.55 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -118.36 136.66 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 47' ' ' VAL . 7.3 p -117.24 120.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.5 p -62.32 117.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' SER . 15.6 mt -121.64 161.95 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -57.5 139.36 80.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.2 Cg_endo -69.79 2.92 3.11 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.23 . . . . 0.0 112.354 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -131.03 -53.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -95.91 176.7 6.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.25 41.26 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -94.66 144.48 25.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HA ' HD23 ' A' ' 49' ' ' LEU . 2.2 m -80.57 110.59 16.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -49.36 -37.91 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.13 14.53 3.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.583 ' CA ' HD12 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -157.63 159.35 36.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.9 155.01 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -114.71 134.14 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.956 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -131.51 166.37 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.4 tt0 -139.82 120.52 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.828 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 12.0 m-85 -80.05 163.79 23.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 95.3 mmm -83.71 -17.99 39.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.477 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 19.1 p -141.65 149.41 40.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -45.43 89.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.59 -40.61 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.828 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.03 -63.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -43.43 -48.64 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.731 ' N ' HE21 ' A' ' 71' ' ' GLN . 0.8 OUTLIER -56.95 -48.43 78.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.59 -21.65 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.853 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.7 t -86.63 -24.84 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 96' ' ' ASP . 52.5 mt -78.11 -62.81 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.07 5.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 86' ' ' LEU . . . -86.58 -21.85 26.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' CB ' ' HB ' ' A' ' 95' ' ' VAL . . . -84.13 -37.25 22.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -79.78 108.6 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -53.62 -29.2 36.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 81' ' ' ALA . 11.9 pt-20 -72.02 -46.79 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 80' ' ' GLU . . . -58.95 -177.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -68.91 168.76 12.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.47 -68.3 2.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.02 -145.16 12.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.51 145.99 17.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD21 ' HE1' ' A' ' 39' ' ' PHE . 9.2 mp -87.33 152.18 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -147.04 128.04 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.925 ' HB2' HD11 ' A' ' 93' ' ' LEU . 13.5 tp -107.49 99.9 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 74.87 47.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.91 15.12 64.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -115.57 124.06 50.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -64.84 133.94 53.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.925 HD11 ' HB2' ' A' ' 88' ' ' LEU . 11.4 mt -114.7 142.98 45.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -113.83 102.49 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' SG ' ' A' ' 73' ' ' CYS . 32.5 t -98.99 127.65 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.538 ' HA ' HD22 ' A' ' 74' ' ' LEU . 35.6 t70 -142.23 144.46 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.563 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.84 99.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -83.95 179.22 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.096 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.14 138.56 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.9 m -61.54 102.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.8 ttt85 -122.62 143.1 49.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.75 115.9 31.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.41 101.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.38 144.07 28.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -142.67 166.37 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -129.09 149.98 50.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.0 -163.53 31.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 111.2 2.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.308 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.5 p -167.11 146.03 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.4 m -161.31 137.35 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.469 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -121.57 106.77 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -170.25 161.11 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 143.33 3.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -78.03 165.56 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -68.35 -67.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.34 85.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -55.03 151.15 17.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.0 p -162.41 134.28 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.72 ' OD1' HG23 ' A' ' 13' ' ' THR . 6.2 t0 -66.46 118.77 10.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 13' ' ' THR . 7.2 p -112.59 -43.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.72 HG23 ' OD1' ' A' ' 11' ' ' ASP . 43.4 p 41.7 51.8 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -160.51 166.76 28.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 109.31 29.64 3.9 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.6 mttp -117.42 118.67 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.1 m -139.83 161.3 37.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.716 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.5 m -152.96 122.0 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.694 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 45.9 t80 -114.63 119.82 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.5 mp -94.58 136.4 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -122.07 159.8 26.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 t30 63.86 53.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 59' ' ' CYS . 44.4 mt -89.88 159.57 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' SER . 7.7 t -98.37 132.06 44.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -39.9 -46.4 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' SER . 2.4 p30 -56.18 -38.65 71.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.5 p -36.76 149.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.92 142.6 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.68 -42.22 2.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.68 -58.06 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -58.11 9.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.754 ' C ' HD23 ' A' ' 32' ' ' LEU . 3.8 tt -38.71 -53.66 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 35' ' ' VAL . . . -65.13 -55.23 22.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -45.9 -21.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' GLY . 41.9 t -80.89 -43.43 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.97 ' HB2' HD11 ' A' ' 42' ' ' LEU . 42.8 mt -75.99 -37.53 58.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.733 ' HG2' HD12 ' A' ' 42' ' ' LEU . 27.6 mt-30 -46.06 -35.59 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -48.97 -36.48 17.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.94 -44.29 27.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.22 157.8 29.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -52.15 123.87 11.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.97 HD11 ' HB2' ' A' ' 36' ' ' LEU . 11.7 mt -88.02 130.94 34.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 19.7 tptp -73.96 -46.18 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.489 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -157.37 145.24 18.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 p -130.9 117.51 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -133.03 132.33 41.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.93 109.13 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 7.2 p -59.68 122.31 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.28 164.77 11.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -56.53 136.91 76.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.9 Cg_endo -69.76 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -129.41 -57.39 1.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -98.09 175.48 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -87.42 -20.3 26.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -53.66 149.78 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.0 m -61.21 154.35 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -81.0 -39.61 25.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . 137.16 -1.2 3.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.619 ' CA ' HD12 ' A' ' 23' ' ' LEU . 2.2 m -153.89 168.58 25.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.713 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -154.29 158.42 40.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.694 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 77.7 m-85 -120.93 137.55 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -139.4 171.09 14.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.512 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.0 tt0 -139.11 148.32 43.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.943 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.4 m-85 -109.42 171.78 7.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.479 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 2.8 mmt -95.21 -21.71 18.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 24.6 p -134.07 128.58 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.179 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -40.96 -52.8 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -48.18 -38.56 18.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -52.63 -65.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.47 ' HB3' HE21 ' A' ' 71' ' ' GLN . . . -44.11 -43.29 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.475 ' N ' HE21 ' A' ' 71' ' ' GLN . 4.5 mm-40 -65.17 -43.89 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -61.57 -22.58 65.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.922 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.0 t -79.6 -33.76 41.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ALA . 33.6 mt -68.64 -65.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -39.47 -31.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.58 -35.03 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.05 -19.15 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -105.14 102.83 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -54.51 -15.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.684 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 tp10 -73.56 -36.88 65.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -70.02 -179.28 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -95.73 72.24 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.59 -73.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.8 100.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -41.14 140.19 1.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.75 145.38 25.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -142.66 137.7 30.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB2' HD21 ' A' ' 93' ' ' LEU . 6.8 tp -120.78 101.07 7.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 69.67 26.96 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.69 40.16 6.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -148.06 121.19 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.24 131.67 51.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 88' ' ' LEU . 14.6 mt -99.89 103.3 14.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.922 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.9 t -100.6 128.89 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -140.87 143.12 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.75 99.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.756 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -81.93 -177.92 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.8 t -137.54 115.48 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.9 m -72.1 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -63.86 107.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.94 129.89 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -103.29 68.1 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.64 107.46 18.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.39 104.25 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.0 m -115.48 98.89 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.51 -91.49 2.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -121.05 177.96 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.9 t -89.33 -53.8 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -98.16 143.69 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -73.8 -48.01 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.49 179.33 13.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -162.57 163.25 27.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 t -127.49 142.82 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.88 35.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.4 pt? -71.9 149.38 92.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 m -47.93 125.28 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.7 166.66 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.93 -25.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 m -61.68 145.86 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -73.2 90.3 1.58 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.71 44.76 1.39 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 7.4 mttp -123.09 118.48 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.661 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 29.5 m -140.0 162.52 34.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.5 m -155.92 118.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.722 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 24.4 t80 -110.3 129.38 55.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.36 129.69 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -120.03 155.03 33.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.43 43.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.731 HD12 ' C ' ' A' ' 59' ' ' CYS . 34.9 mt -78.88 150.74 32.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 p -85.58 139.46 31.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -56.58 -13.58 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -92.66 -26.85 17.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.503 ' HB2' HD23 ' A' ' 88' ' ' LEU . 28.1 t -54.0 151.92 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' GLU . 25.4 mt-10 -136.54 142.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.7 tt0 -36.3 -41.2 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.1 -65.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.808 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -50.7 -36.02 33.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.1 tt -65.31 -52.71 52.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.31 -45.76 95.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.74 -19.3 10.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 31' ' ' ALA . 70.8 t -83.12 -44.56 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.919 ' HB2' HD11 ' A' ' 42' ' ' LEU . 22.0 mt -77.03 -25.27 52.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.621 ' CG ' HD12 ' A' ' 42' ' ' LEU . 19.2 mt-30 -58.18 -31.12 66.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -51.41 -37.13 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.62 -43.29 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -171.02 168.89 42.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.43 119.9 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.919 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.4 mt -81.52 124.66 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.87 -46.08 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -163.04 136.63 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.5 p -124.86 112.52 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -123.15 138.18 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -117.78 124.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 48' ' ' VAL . 10.0 p -71.97 126.45 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -117.27 163.45 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.3 t-80 -57.24 137.15 81.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.75 4.3 2.27 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.377 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -117.63 -52.51 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 55' ' ' HIS . 10.4 t -121.69 164.95 16.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -81.96 44.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' HB2' HG23 ' A' ' 53' ' ' THR . 4.2 m170 -102.88 127.33 50.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.8 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.6 m -51.81 134.09 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -77.25 -18.09 57.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.37 17.03 9.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.731 ' C ' HD12 ' A' ' 23' ' ' LEU . 25.0 p -161.45 168.71 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -163.24 156.89 19.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.722 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 74.4 m-85 -120.47 138.59 53.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.61 173.9 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 7.8 tt0 -142.4 143.66 32.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 10.8 m-85 -103.84 162.64 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mmt -81.67 -24.74 36.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 38.4 p -133.6 132.71 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -50.95 -36.99 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.48 -24.88 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.0 -51.78 20.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -53.38 -40.23 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.673 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -66.32 -42.86 87.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -61.09 -29.57 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.802 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.3 t -71.03 -43.9 66.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' ALA . 52.2 mt -57.37 -66.02 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.45 -32.68 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -26.69 26.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.95 -29.39 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t -97.11 117.18 30.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 80' ' ' GLU . 0.2 OUTLIER -66.06 -13.74 60.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.507 ' N ' HD12 ' A' ' 79' ' ' LEU . 2.7 pt-20 -95.72 7.51 46.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.22 174.77 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 9.0 mp0 -59.16 124.03 18.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.44 -73.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 155.75 -159.15 29.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.96 148.08 16.7 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 9.5 mp -92.7 151.67 19.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.904 0.383 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -146.33 138.34 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.9 tp -125.27 110.44 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.94 39.2 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.53 76.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -121.33 129.78 53.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -74.01 114.67 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 88' ' ' LEU . 49.5 mt -83.29 134.66 34.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.83 102.62 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.802 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.5 t -98.94 127.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -143.5 142.54 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.01 -176.25 6.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.1 p -117.76 144.53 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 p -117.56 128.1 54.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -101.62 107.49 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.0 119.7 22.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.93 84.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.42 120.61 4.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -129.82 114.0 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 105' ' ' ALA . 82.7 p -35.49 105.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -133.98 70.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -9.68 26.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m 49.93 46.77 24.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.801 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.2 t -101.95 91.02 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -53.86 -56.26 19.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -148.35 117.7 6.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.56 144.69 16.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 m -125.32 100.54 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -62.6 -46.74 86.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.72 94.02 2.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -42.21 150.38 0.39 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.603 0.716 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 95.91 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.376 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.8 t -159.72 168.11 26.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -97.28 120.22 37.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -107.31 138.81 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 p -134.39 172.12 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -106.23 85.32 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.76 47.55 1.01 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 66' ' ' THR . 10.4 mttt -120.77 118.2 29.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.615 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 40.1 m -140.37 161.48 37.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.818 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 16.1 m -158.0 123.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 59' ' ' CYS . 46.0 t80 -115.6 120.72 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.598 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.6 mp -94.43 134.12 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 46.1 mtm180 -120.46 151.99 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 71.93 42.12 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' C ' ' A' ' 59' ' ' CYS . 56.6 mt -77.67 158.91 29.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.13 143.14 28.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 55' ' ' HIS . 14.1 m-85 -55.48 -37.45 67.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.3 -36.0 82.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.1 t -49.22 147.65 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -131.6 155.17 47.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -51.1 -38.55 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -63.78 -51.98 62.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -63.75 -55.85 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -43.82 -51.6 7.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.76 -52.9 45.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -52.17 -16.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 31' ' ' ALA . 93.2 t -84.43 -45.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.822 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.7 mt -75.19 -29.59 60.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.714 ' HG3' HD12 ' A' ' 42' ' ' LEU . 24.5 mt-30 -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -47.48 -32.08 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -84.7 -45.96 11.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.84 164.16 37.73 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.73 131.56 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 12.7 mt -94.34 112.41 24.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -55.59 -46.29 77.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.497 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -163.96 145.33 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -132.2 115.1 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -124.94 131.09 53.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.1 p -116.71 112.57 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 p -59.06 143.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -117.59 158.27 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 t-80 -63.63 140.89 97.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.556 0.693 . . . . 0.0 110.84 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.0 Cg_endo -69.75 -33.25 17.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -75.03 -53.02 9.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 54' ' ' GLU . 3.6 t -128.91 177.83 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' N ' ' OG1' ' A' ' 53' ' ' THR . 24.7 mt-10 -85.69 28.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 8.8 m170 -71.54 111.14 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -52.47 106.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -49.1 159.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.1 31.72 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.586 ' C ' HD12 ' A' ' 23' ' ' LEU . 16.2 p -160.99 155.96 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.728 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.42 162.56 38.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 22.2 m-85 -119.69 139.77 51.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.48 168.73 19.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.497 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 13.3 tt0 -142.02 123.49 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.1 m-85 -82.85 171.51 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -97.84 -4.44 36.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.478 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 20.3 p -150.88 136.07 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -46.89 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.12 -47.52 65.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -47.89 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.3 -51.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.548 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.6 mm-40 -60.86 -41.72 96.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -63.07 -24.61 67.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.759 ' SG ' HG11 ' A' ' 95' ' ' VAL . 4.4 t -78.88 -36.59 41.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.97 -26.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.06 -33.88 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.8 -20.71 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -90.97 97.86 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 80' ' ' GLU . 2.3 pt? -50.14 -40.82 47.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 11.2 pt-20 -51.72 -41.02 61.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.6 145.21 19.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -58.8 113.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.27 -91.69 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.06 174.08 43.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.05 156.76 16.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp -85.62 145.03 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -146.65 134.42 21.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.785 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.7 tp -120.55 109.49 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.96 39.27 13.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.78 28.87 62.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -126.71 124.79 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.717 0.294 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -71.3 106.78 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 88' ' ' LEU . 15.2 mt -79.61 123.83 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -105.39 102.28 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.759 HG11 ' SG ' ' A' ' 73' ' ' CYS . 38.9 t -97.23 126.38 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -137.97 143.09 40.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.565 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.02 99.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -87.04 -175.62 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.1 p -145.74 140.87 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.0 m -82.69 117.46 22.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -158.91 143.21 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -41.61 126.22 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -125.5 42.15 3.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.51 94.56 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.37 140.48 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.064 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -113.91 163.88 14.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.96 83.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 131.93 22.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -145.69 140.16 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 111' ' ' GLY . 34.3 t -141.2 156.54 45.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 110' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -150.52 160.99 43.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -67.39 149.36 50.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.5 74.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -52.05 -50.39 61.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 p -56.9 -53.89 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.41 148.98 22.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -49.33 144.0 9.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.92 22.2 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -82.18 131.76 35.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.66 163.07 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.84 119.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -140.16 140.04 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -77.24 51.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.07 48.5 0.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 66' ' ' THR . 10.1 mttt -122.31 118.92 29.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.632 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 26.1 m -139.53 162.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.634 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.6 m -156.37 118.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.739 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 37.0 t80 -112.63 123.39 50.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp -95.43 141.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -128.26 156.13 43.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t30 65.76 45.91 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.74 HD12 ' CA ' ' A' ' 59' ' ' CYS . 43.7 mt -78.1 157.04 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' CB ' ' HD2' ' A' ' 91' ' ' ARG . 14.9 t -101.19 142.16 33.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -49.34 -37.62 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' CG ' ' OD1' ' A' ' 89' ' ' ASP . 4.1 t70 -61.45 -30.74 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 8.5 t -54.47 155.14 4.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.3 mt-10 -154.56 139.89 17.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 28' ' ' GLU . 14.6 tt0 -34.58 -42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -55.4 26.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.614 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -66.89 -56.29 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.705 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -43.32 -51.54 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.2 -57.32 15.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -44.6 -23.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.0 t -76.46 -51.13 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.829 ' HB2' HD11 ' A' ' 42' ' ' LEU . 36.4 mt -68.86 -33.65 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 42' ' ' LEU . 30.7 mt-30 -50.23 -29.25 9.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -51.19 -47.27 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 85.9 m-85 -66.75 -50.74 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.38 172.93 39.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.24 133.0 54.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 36' ' ' LEU . 22.3 mt -96.94 122.19 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.6 -46.75 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -161.22 132.15 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.51 109.46 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -121.91 135.4 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.36 114.9 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.5 131.31 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 56' ' ' SER . 61.0 mt -127.36 164.35 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -58.91 134.54 87.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.283 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -119.32 -45.09 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 55' ' ' HIS . 1.8 t -126.14 174.74 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.42 43.92 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.499 ' N ' HG23 ' A' ' 53' ' ' THR . 4.0 m170 -94.49 129.19 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 49' ' ' LEU . 14.1 t -65.98 108.77 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -46.3 -39.61 10.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.69 14.46 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.74 ' CA ' HD12 ' A' ' 23' ' ' LEU . 15.9 p -159.28 166.91 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -159.29 156.86 29.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 68.6 m-85 -120.06 134.62 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.634 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.27 168.18 19.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -138.86 136.21 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.726 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -96.34 169.93 9.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 mtp -93.79 -14.65 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 50.9 p -140.75 138.9 34.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.081 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.14 -46.08 68.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 9.5 tp10 -52.11 -36.02 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -59.49 -65.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.426 ' HB3' HE21 ' A' ' 71' ' ' GLN . . . -42.68 -44.36 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.071 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.5 mm-40 -66.1 -41.57 90.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 56.2 mttt -64.46 -25.14 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.569 ' SG ' HG11 ' A' ' 95' ' ' VAL . 18.7 t -77.59 -34.83 53.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 mt -67.32 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.15 -26.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 86' ' ' LEU . . . -88.14 -30.57 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.76 -38.64 58.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 1.1 t -65.68 117.51 8.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -67.6 -16.68 64.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 79' ' ' LEU . 3.1 pp20? -91.58 -33.75 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 78' ' ' SER . . . -69.39 142.76 53.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -44.58 141.48 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 116.8 -65.12 0.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.4 126.88 2.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.14 154.41 15.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 76' ' ' ALA . 8.1 mp -94.15 151.16 19.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.888 0.375 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -138.83 136.81 36.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.741 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.7 tp -123.07 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 4.7 m-20 61.81 32.35 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.71 40.12 27.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.442 ' HD2' ' CB ' ' A' ' 24' ' ' SER . 11.3 mtt-85 -147.72 122.13 9.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -56.82 145.02 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.4 mt -117.41 136.79 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -115.0 107.34 15.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.569 HG11 ' SG ' ' A' ' 73' ' ' CYS . 46.2 t -104.47 129.22 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -141.09 145.12 35.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 99.94 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 19' ' ' PHE . . . -85.33 -175.02 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.8 p -152.69 126.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 57.7 m -101.71 90.34 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 101' ' ' ARG . 15.9 ttp-105 -144.74 126.12 14.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -68.93 134.58 49.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -110.35 46.62 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.44 39.3 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -50.78 -55.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 p -65.6 83.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.63 -83.73 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 114.6 3.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.7 p -100.53 122.45 43.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.4 m -68.37 170.79 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -166.51 173.58 9.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -132.69 -47.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.49 86.63 0.61 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -164.14 158.42 19.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -113.7 90.29 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.1 169.53 3.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.65 144.37 28.52 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.1 25.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ASP . 64.9 p -100.48 -57.89 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' SER . 1.2 m-20 -35.44 109.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.29 142.25 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 m -163.27 150.96 13.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -80.6 53.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.17 45.95 1.27 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -120.71 118.69 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.629 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 24.1 m -139.87 160.97 38.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.173 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 18' ' ' VAL . 7.7 m -156.58 118.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.8 t80 -111.44 125.36 53.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.602 ' H ' HD12 ' A' ' 20' ' ' ILE . 2.7 mp -96.48 138.62 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 14.2 mtp180 -124.05 156.94 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 t30 68.11 40.81 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.671 HD12 ' CA ' ' A' ' 59' ' ' CYS . 40.8 mt -75.16 146.86 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -86.01 142.47 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 55' ' ' HIS . 3.9 t80 -50.18 -35.2 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -68.51 -36.39 78.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' ASP . 15.6 p -35.1 147.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 29' ' ' GLU . 46.0 mt-10 -141.77 135.17 29.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLU . 24.0 tt0 -36.78 -44.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.18 -60.71 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -58.09 -56.73 18.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.5 tt -41.36 -50.91 3.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.33 -55.91 24.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -47.33 -22.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -79.14 -37.88 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.761 ' HB2' HD11 ' A' ' 42' ' ' LEU . 31.0 mt -85.86 -24.04 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.556 ' HG3' HD12 ' A' ' 42' ' ' LEU . 45.1 mt-30 -59.02 -30.96 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 1.9 pt20 -48.89 -47.33 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 82.7 m-85 -69.25 -54.68 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.67 169.69 33.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.44 121.09 15.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 36' ' ' LEU . 17.3 mt -78.25 118.21 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -60.9 -38.86 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -166.74 132.35 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 45' ' ' VAL . 2.8 p -119.15 115.5 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -133.87 129.81 36.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.77 124.01 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.8 p -60.73 115.53 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 56' ' ' SER . 9.1 mt -105.59 163.64 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' ND1' ' HD2' ' A' ' 51' ' ' PRO . 7.0 t-80 -57.71 133.07 82.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.545 0.688 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 50' ' ' HIS . 53.9 Cg_endo -69.79 5.32 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.03 -47.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 t -121.0 154.59 35.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -80.1 62.38 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 19.9 m-70 -131.09 140.39 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.447 ' HA ' HD23 ' A' ' 49' ' ' LEU . 8.2 t -49.93 156.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -102.66 -47.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.99 -17.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.671 ' CA ' HD12 ' A' ' 23' ' ' LEU . 13.4 m -145.09 168.57 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.75 161.83 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.586 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 24.1 m-85 -124.17 137.88 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -138.34 170.11 16.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -138.27 148.24 44.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -108.77 171.84 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mtp -96.29 -14.17 22.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 p -138.93 140.0 38.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.5 -47.56 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -52.96 -37.97 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -52.39 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.43 -50.4 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.647 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.7 mm-40 -57.87 -48.52 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -56.56 -27.19 57.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.727 ' SG ' HG11 ' A' ' 95' ' ' VAL . 11.8 t -78.34 -35.23 47.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.36 -62.31 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.04 -29.38 12.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.31 -38.4 22.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.42 -34.74 74.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t -78.96 101.08 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HA ' ' N ' ' A' ' 85' ' ' GLY . 2.4 pt? -47.29 -38.35 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 3.5 tp10 -55.74 -55.04 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -50.21 130.06 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 81' ' ' ALA . 5.4 mt-10 33.68 42.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLU . . . 35.29 57.53 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -153.18 111.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.478 ' N ' ' HA ' ' A' ' 79' ' ' LEU . . . -129.8 147.62 18.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.57 144.98 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -141.07 129.7 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.612 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.1 tp -115.11 99.77 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 t70 71.67 33.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.23 20.17 63.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -120.32 126.0 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.85 111.68 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 88' ' ' LEU . 40.9 mt -80.46 111.97 17.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -92.55 105.15 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.6 t -101.24 127.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.64 144.84 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 99.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.46 179.84 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.39 126.57 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -101.19 91.86 4.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -146.66 144.61 29.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -116.5 126.79 53.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.31 51.86 2.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.03 166.17 23.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.95 -50.96 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.3 t -143.7 140.24 29.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -155.61 -70.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.24 6.61 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 m -121.74 134.06 54.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.3 t -43.22 -58.34 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 45.39 40.13 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.385 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 m -120.21 115.77 24.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.12 41.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -49.79 100.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -84.32 162.37 20.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.17 172.67 23.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.1 pp -62.17 137.7 95.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 154.88 67.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.6 m -119.78 -57.27 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -46.1 106.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -82.47 -49.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -45.96 159.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -59.77 99.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.42 32.81 4.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG2' ' CG ' ' A' ' 67' ' ' GLN . 4.6 mttp -118.3 118.33 31.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.763 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 21.7 m -140.0 161.24 38.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.778 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.6 m -152.84 119.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.619 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 48.2 t80 -112.74 124.98 53.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -98.6 134.39 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 37.3 mtp180 -118.46 149.28 41.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 t30 72.17 49.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD12 ' C ' ' A' ' 59' ' ' CYS . 38.9 mt -82.55 150.74 26.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -90.47 139.72 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.19 -41.27 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.57 -30.15 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 p -45.63 152.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.1 mt-10 -139.37 136.51 34.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLU . 17.6 tt0 -37.22 -44.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.57 -57.67 11.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.78 -51.95 66.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.9 tt -45.19 -54.8 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.63 90.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -51.35 -22.12 2.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' CG1' HD23 ' A' ' 86' ' ' LEU . 86.2 t -80.62 -51.39 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' SG ' ' A' ' 73' ' ' CYS . 28.2 mt -71.31 -22.82 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' CG ' HD12 ' A' ' 42' ' ' LEU . 11.9 mt-30 -56.63 -23.79 43.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 5.7 pt20 -65.69 -32.22 73.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 68.1 m-85 -94.08 22.58 5.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.68 155.51 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.74 141.47 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -100.53 129.99 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -72.67 -50.07 27.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -151.98 135.57 16.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 p -124.68 109.38 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.7 tpt85 -124.16 135.33 53.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 60' ' ' ALA . 6.4 p -115.86 110.89 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.3 p -60.67 136.07 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.96 164.81 12.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 7.5 t-80 -56.64 138.86 76.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.886 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.4 Cg_endo -69.83 3.27 2.9 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.696 2.264 . . . . 0.0 112.334 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -132.95 -59.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.2 p -86.61 170.42 11.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -102.8 37.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -99.1 -175.48 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.2 t -95.77 110.39 22.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -59.23 159.12 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.48 36.63 2.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.654 ' C ' HD12 ' A' ' 23' ' ' LEU . 1.3 p -161.74 147.66 13.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -152.76 159.74 43.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 57.7 m-85 -121.89 135.26 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.778 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.4 177.86 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.1 tt0 -148.51 139.85 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 13.9 m-85 -101.2 171.99 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 mmt -82.5 -33.81 28.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 27.0 p -132.6 143.11 49.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.469 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 93.9 mt-30 -47.45 -52.27 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -46.07 -41.76 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.8 -60.83 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -45.77 -35.7 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.8 mm-40 -68.52 -40.36 80.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -64.33 -31.59 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.868 ' SG ' HD22 ' A' ' 36' ' ' LEU . 10.4 t -71.24 -32.93 69.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 48.8 mt -68.58 -68.48 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.641 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -74.38 -31.84 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -74.21 -33.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 104.27 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -57.78 -27.0 62.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -66.57 -50.52 62.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -45.04 165.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.12 45.02 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.12 -57.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.45 -172.96 30.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.94 141.9 13.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD23 ' CG1' ' A' ' 35' ' ' VAL . 8.3 mp -95.0 145.97 24.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -141.25 128.93 21.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.694 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.3 tp -116.05 131.94 56.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 48.6 29.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.04 34.71 32.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.463 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -138.7 129.23 26.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -64.06 139.91 58.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 88' ' ' LEU . 19.6 mt -113.36 132.81 55.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -109.83 105.32 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.852 HG11 ' SG ' ' A' ' 73' ' ' CYS . 27.8 t -97.53 131.41 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 23.3 t0 -145.43 142.55 29.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.6 99.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.763 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -80.82 176.92 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 99' ' ' VAL . 7.8 p -159.44 124.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.6 m -56.21 119.63 6.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 115.95 21.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.96 97.97 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.62 83.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -162.97 167.12 22.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.52 138.91 47.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -111.88 92.42 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -134.48 83.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 127.41 14.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 m -83.23 -59.96 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.4 t -94.46 134.48 36.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -141.98 140.48 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -129.81 106.5 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.88 76.82 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -121.51 102.9 8.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -167.46 112.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.91 85.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.7 pp -69.07 147.17 97.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.0 66.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 m -86.56 134.99 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -172.0 144.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 12' ' ' VAL . 34.1 m -80.37 125.95 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -167.66 143.5 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.57 92.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -123.4 43.46 1.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 4.8 mttp -121.26 118.37 29.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.651 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.2 m -140.15 162.74 34.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.713 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.6 m -158.12 118.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 27.2 t80 -111.74 124.8 53.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.0 mp -98.95 134.52 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 45.4 mtp85 -120.09 150.79 40.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.76 53.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CA ' ' A' ' 59' ' ' CYS . 62.9 mt -94.52 151.93 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 145.19 24.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -55.35 -40.07 70.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 27' ' ' SER . 2.3 p30 -60.05 -37.47 79.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.451 ' HB2' HD23 ' A' ' 88' ' ' LEU . 41.4 t -47.61 139.16 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' GLU . 16.4 mt-10 -120.73 141.89 50.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLU . 10.1 tt0 -37.17 -33.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' GLU . 13.6 mt-10 -72.82 -63.29 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -49.56 -32.53 12.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' C ' HD23 ' A' ' 32' ' ' LEU . 6.4 tt -70.6 -51.81 25.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.98 94.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -53.58 -23.98 12.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 31' ' ' ALA . 20.6 t -78.81 -40.6 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 42' ' ' LEU . 57.5 mt -78.67 -28.47 45.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.824 ' HG2' HD12 ' A' ' 42' ' ' LEU . 24.6 mt-30 -57.73 -37.51 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -44.24 -33.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -80.54 -53.55 6.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.55 162.38 34.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.2 131.19 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.86 HD11 ' HB2' ' A' ' 36' ' ' LEU . 6.6 mt -95.47 130.1 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -72.54 -43.85 62.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -163.81 146.27 9.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.972 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.19 107.62 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -119.77 134.59 55.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.22 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.11 129.36 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -111.36 161.2 16.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.7 t-80 -58.32 141.46 82.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.863 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.8 Cg_endo -69.69 -39.8 6.21 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.8 -54.3 9.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' HIS . 13.2 t -123.23 178.9 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -91.49 47.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' SER . 8.9 m170 -104.31 101.83 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' HIS . 15.1 m -35.8 108.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -39.91 -34.2 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.48 18.75 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' CA ' HD12 ' A' ' 23' ' ' LEU . 29.1 p -157.4 162.42 39.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.07 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.536 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 56.7 m-85 -114.62 136.58 52.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.713 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.54 174.36 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.9 tt0 -145.45 137.18 25.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.841 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 m-85 -98.49 164.68 12.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.2 mtp -85.26 -20.5 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.445 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 39.0 p -140.45 132.24 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -43.54 -51.79 6.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.81 -40.58 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.841 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -57.11 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.65 -45.99 9.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.712 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -61.56 -46.56 89.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -58.56 -24.69 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.944 ' SG ' HG11 ' A' ' 95' ' ' VAL . 2.3 t -79.29 -31.42 43.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 28.2 mt -75.17 -63.25 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.41 0.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.79 -36.18 18.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.71 80.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.3 t -61.1 113.58 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.6 pt? -72.12 -10.43 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 81' ' ' ALA . 4.6 mm-40 -86.91 -55.27 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 80' ' ' GLU . . . -32.98 144.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.7 pm0 -49.72 102.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.55 -93.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.21 -168.29 34.21 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.53 162.43 24.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.35 146.81 26.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 110.921 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -146.76 141.47 26.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 27' ' ' SER . 4.4 tp -121.36 98.68 6.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 70.07 49.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.12 32.92 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -132.67 120.39 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -71.47 117.52 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 23' ' ' LEU . 10.5 mt -88.8 124.61 34.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -101.02 102.34 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.944 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.6 t -96.89 128.71 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -143.21 143.37 31.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.76 99.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.651 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -85.8 -177.16 6.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.0 p -162.99 141.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.4 m -81.26 -62.75 1.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 101' ' ' ARG . 18.2 ttp-105 -65.84 146.78 54.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -95.9 43.44 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 57.48 41.79 25.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.94 97.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.34 112.21 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.9 p -122.74 124.12 42.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.4 -92.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 139.57 40.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.62 2.213 . . . . 0.0 112.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.8 p -168.66 116.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 t -41.38 143.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m 47.15 43.07 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -166.54 134.16 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.5 102.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -84.5 146.77 27.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 0.0 110.828 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -130.71 -50.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.02 69.92 1.2 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' CD2' ' H ' ' A' ' 8' ' ' LEU . 3.5 mm? -41.35 153.04 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 10' ' ' SER . 54.1 Cg_endo -69.77 3.41 2.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.8 t -32.78 108.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.77 165.77 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 12' ' ' VAL . 8.2 p -125.4 42.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.7 p -149.33 136.98 20.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -128.83 49.22 2.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.26 48.93 1.72 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 6.1 mttp -125.87 118.36 25.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 53.7 m -140.07 163.51 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.599 ' N ' HG22 ' A' ' 17' ' ' THR . 6.8 m -158.09 118.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 27.9 t80 -111.14 121.85 46.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 23' ' ' LEU . 3.7 mp -95.58 138.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.069 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -125.71 157.95 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 t30 64.46 49.27 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' C ' ' A' ' 59' ' ' CYS . 44.7 mt -87.87 149.64 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' SER . 5.3 t -89.59 128.3 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -55.4 -41.37 72.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' SER . 41.2 t -39.43 157.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' GLU . 27.2 mt-10 -145.94 136.29 23.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLU . 20.1 tt0 -34.97 -42.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.89 -60.39 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.936 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -59.15 -52.6 64.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -49.41 -50.32 41.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.64 -56.43 24.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -51.95 -16.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 31' ' ' ALA . 59.5 t -85.42 -28.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.855 ' HB2' HD11 ' A' ' 42' ' ' LEU . 24.3 mt -94.1 -39.08 10.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' C ' ' CD ' ' A' ' 37' ' ' GLN . 4.3 pp0? -50.25 -18.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' PHE . 2.0 pt20 -57.52 -44.93 85.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.433 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.7 m-85 -75.26 -24.85 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 178.25 141.01 4.07 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -46.69 118.86 2.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 36' ' ' LEU . 28.6 mt -75.31 141.05 43.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -86.2 -44.66 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.1 p90 -158.65 124.36 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -116.82 117.9 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -129.62 136.89 50.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 47' ' ' VAL . 4.1 p -119.31 117.44 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.7 p -62.42 133.35 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mt -126.36 163.15 23.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.507 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 3.2 t-80 -57.12 140.86 77.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.3 Cg_endo -69.78 -28.19 25.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -103.64 -28.67 11.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' HIS . 1.2 p -116.91 175.57 5.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -99.58 19.43 15.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -79.62 173.28 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -120.49 149.6 42.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -87.19 41.73 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.29 31.74 1.01 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' C ' HD12 ' A' ' 23' ' ' LEU . 73.0 m -153.39 153.13 31.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.03 153.13 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.661 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 33.5 m-85 -117.58 132.53 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.95 174.18 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -139.9 146.8 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.789 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -105.93 171.05 7.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.7 mmt -85.84 -32.19 21.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.1 p -130.19 145.62 51.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.08 -50.1 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -51.57 -38.31 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.789 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -51.86 -58.51 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.43 -52.94 51.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.636 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -55.26 -39.86 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 41.7 t -74.36 -38.93 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' ALA . 68.0 mt -59.37 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.31 -27.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.75 -27.76 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -76.57 -33.94 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.92 114.1 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 80' ' ' GLU . 2.1 pt? -55.62 -36.92 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 9.1 pt-20 -60.91 -46.46 90.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.17 144.14 16.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -51.05 138.37 19.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.27 -65.45 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 150.4 -168.49 30.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.6 155.14 17.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' HB3' HD12 ' A' ' 93' ' ' LEU . 10.0 mp -86.57 149.23 25.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -144.22 127.5 16.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.1 tp -119.43 101.29 7.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 t0 73.12 41.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.41 37.35 79.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -142.5 120.81 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -62.26 123.65 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 88' ' ' LEU . 47.6 mt -89.48 123.88 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -104.56 103.29 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' O ' HD22 ' A' ' 74' ' ' LEU . 29.6 t -103.96 127.0 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -138.59 145.04 40.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.07 100.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.87 -175.3 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t -143.51 127.44 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.6 m -87.44 115.32 24.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.55 172.36 17.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -53.89 108.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -87.12 50.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.97 90.2 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.12 88.34 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -96.28 137.17 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 42.36 80.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 140.53 43.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.2 m -134.07 -47.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 85.34 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -174.5 160.62 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -169.21 166.35 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.85 91.02 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -105.78 100.5 10.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -140.69 137.89 33.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 128.27 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -90.52 152.92 45.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -15.88 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.7 m -46.25 168.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -110.51 121.64 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.87 104.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 p -125.18 142.8 51.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.09 88.24 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . -142.72 46.39 0.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 5.0 mttp -119.45 117.9 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.666 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 55.0 m -140.37 152.78 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.749 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.3 m -148.61 118.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 40.9 t80 -110.36 125.93 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -100.18 137.3 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.0 mtt180 -123.96 169.92 11.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.4 t30 54.82 42.92 30.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 59' ' ' CYS . 60.8 mt -77.38 155.58 31.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.4 p -98.42 132.71 43.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.06 -31.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.85 -37.92 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 t -45.91 162.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.29 165.24 30.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.99 -35.77 79.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.15 -56.87 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -60.81 -53.76 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.749 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -42.83 -54.12 4.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.22 -54.59 35.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -46.1 -21.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' ALA . 78.3 t -79.05 -43.99 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.967 ' HB2' HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.26 -37.49 57.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.754 ' HG3' HD12 ' A' ' 42' ' ' LEU . 53.4 mt-30 -46.19 -42.32 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pt20 -37.99 -39.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' CB ' ' A' ' 76' ' ' ALA . 81.9 m-85 -80.11 -48.29 13.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.5 152.06 21.55 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -48.89 128.85 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.1 mt -89.83 114.52 26.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -55.26 -41.66 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -164.19 146.72 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.46 112.16 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -126.22 132.17 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.5 p -117.6 110.29 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.65 128.63 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 56' ' ' SER . 10.6 mt -116.67 163.63 15.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 6.6 t-80 -69.54 140.94 90.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.542 0.687 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.8 Cg_endo -69.77 -42.81 3.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.333 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.87 -52.88 54.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' HIS . 14.0 t -130.18 171.21 13.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -83.59 56.65 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -107.96 123.12 48.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.414 ' HA ' HD23 ' A' ' 49' ' ' LEU . 2.9 m -65.64 133.41 51.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HB3' ' HG ' ' A' ' 59' ' ' CYS . 43.6 mttt -80.55 42.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' LYS . . . 37.01 36.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.538 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.3 p -161.43 152.38 18.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.558 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.88 155.74 30.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 27.6 m-85 -119.16 134.93 54.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.68 172.48 12.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.084 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.5 tt0 -144.56 131.94 20.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 10.6 m-85 -90.03 169.88 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.51 -24.5 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.471 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 17.8 p -140.97 145.86 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 7.8 mm-40 -51.5 -49.75 61.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -46.45 -42.53 15.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.03 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -42.27 -45.0 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.739 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.5 mm-40 -64.68 -40.98 96.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -64.42 -25.83 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.691 ' SG ' HG11 ' A' ' 95' ' ' VAL . 15.3 t -79.17 -37.22 38.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 96' ' ' ASP . 96.0 mt -62.1 -60.29 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -51.22 -35.06 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.107 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 39' ' ' PHE . . . -76.95 -31.28 56.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.59 -37.0 57.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -76.53 101.58 5.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.6 pt? -47.35 -21.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -67.73 -53.34 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -58.57 133.66 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . 3.2 mt-10 33.7 41.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 82' ' ' GLU . . . 35.66 47.38 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.49 128.17 4.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.98 152.05 21.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' NE2' ' A' ' 92' ' ' GLN . 10.8 mp -88.84 149.49 23.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -147.51 144.55 28.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tp -135.57 110.9 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.62 29.89 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.76 26.27 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -127.2 120.95 29.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.31 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.94 107.15 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.95 132.46 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.68 102.44 11.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.691 HG11 ' SG ' ' A' ' 73' ' ' CYS . 21.4 t -100.55 129.83 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.0 t70 -144.84 143.63 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.666 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.94 -177.07 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.73 129.62 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.7 t -49.92 135.38 20.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.61 125.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -79.59 114.93 18.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -108.72 91.18 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -129.33 92.39 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.24 160.25 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -163.77 134.1 4.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.12 80.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.98 4.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -118.62 155.08 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.4 m -119.13 177.7 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -161.34 156.72 24.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -147.56 115.23 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.77 -122.17 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -148.94 143.99 26.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -167.63 130.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.04 149.33 8.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -46.4 149.32 1.39 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.72 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.46 9.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t -119.32 47.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -84.08 39.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 13' ' ' THR . 28.8 m -77.92 -43.42 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.464 ' N ' HG23 ' A' ' 12' ' ' VAL . 11.6 t -84.81 161.85 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -91.75 88.87 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.64 43.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.7 mttp -123.59 118.82 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.736 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 32.4 m -139.69 162.61 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.944 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 4.7 m -156.08 118.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 53.9 t80 -111.22 128.08 55.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 32' ' ' LEU . 3.7 mp -99.73 132.42 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 15.4 mtp85 -119.54 150.1 40.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 70.98 47.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.754 HD12 ' CA ' ' A' ' 59' ' ' CYS . 51.2 mt -78.98 148.55 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.401 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 4.3 t -81.89 144.42 30.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.81 -15.98 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.49 -19.01 22.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.616 ' OG ' HD23 ' A' ' 88' ' ' LEU . 67.0 m -51.83 155.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.53 159.19 44.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -60.97 -35.91 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.95 -52.1 47.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -65.39 -56.54 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.715 HD11 HD13 ' A' ' 20' ' ' ILE . 5.3 tt -40.78 -53.73 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.23 -47.52 90.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.88 -14.46 15.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.942 0.401 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.663 HG21 ' CD1' ' A' ' 88' ' ' LEU . 99.5 t -89.18 -27.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.871 ' HB2' HD11 ' A' ' 42' ' ' LEU . 65.4 mt -97.54 -22.14 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.662 ' CG ' HD12 ' A' ' 42' ' ' LEU . 22.1 mt-30 -61.04 -36.31 79.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -44.73 -37.58 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -74.96 -49.09 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.16 174.58 42.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.19 127.94 33.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 36' ' ' LEU . 14.0 mt -93.41 105.02 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -47.58 -49.62 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -159.05 136.31 9.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 p -120.61 104.81 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -117.12 134.07 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.71 110.97 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.8 p -60.47 121.75 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 56' ' ' SER . 8.9 mt -118.47 164.6 15.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.454 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 5.4 t-80 -56.36 139.22 74.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.551 0.691 . . . . 0.0 110.9 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.77 2.53 3.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -124.11 -60.79 1.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.2 t -106.79 168.22 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -92.7 48.81 1.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' LYS . 9.4 m170 -98.73 115.32 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.515 ' HA ' HD23 ' A' ' 49' ' ' LEU . 50.3 m -43.25 95.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 3.3 ttmm -37.11 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' SER . . . 120.24 4.64 11.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.754 ' CA ' HD12 ' A' ' 23' ' ' LEU . 6.7 m -154.35 163.38 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -153.62 166.69 31.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 23.1 m-85 -127.33 137.3 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.944 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -134.06 169.49 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -145.08 126.17 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.836 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 19.9 m-85 -87.64 171.67 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.5 mtp -94.03 -22.51 18.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.445 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 20.0 p -132.87 133.06 42.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.88 -51.51 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -49.68 -37.79 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.836 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -56.27 -63.08 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.38 -48.56 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -61.14 -42.39 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -62.17 -21.86 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.973 ' SG ' HG11 ' A' ' 95' ' ' VAL . 3.5 t -82.34 -32.75 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 95' ' ' VAL . 39.4 mt -69.49 -66.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.67 -32.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.21 -36.26 27.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.27 -22.49 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -79.14 108.07 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.82 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.49 -19.23 61.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.803 ' N ' HD22 ' A' ' 79' ' ' LEU . 25.4 tt0 -70.07 -47.16 63.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.75 168.97 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.85 161.38 31.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.03 -54.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.81 134.44 4.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.52 175.63 11.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp -97.87 148.17 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -139.73 135.54 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.805 ' HB2' HD11 ' A' ' 93' ' ' LEU . 1.7 tp -116.47 104.7 11.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 64.21 30.26 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.76 17.99 57.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 20.5 mmt180 -122.36 117.73 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -59.93 130.5 47.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' ' 88' ' ' LEU . 27.3 mt -104.14 133.86 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -110.63 104.89 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.973 HG11 ' SG ' ' A' ' 73' ' ' CYS . 35.6 t -97.62 126.73 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -139.96 142.56 36.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.73 99.72 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.736 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.47 -176.21 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.0 p -162.37 142.42 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.2 p -75.7 109.53 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -110.09 85.76 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -56.95 88.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -60.07 86.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.35 168.67 25.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.5 164.55 25.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -130.89 43.0 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 41.99 -153.94 0.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 179.91 3.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.5 t -170.22 132.4 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.8 m -54.08 134.44 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -82.81 144.07 30.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.858 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -105.62 -51.33 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.41 179.63 47.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t 57.16 45.82 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -80.22 -40.9 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.96 7.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -100.2 151.69 37.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.724 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -106.3 100.09 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.72 96.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 12' ' ' VAL . 11.9 p -91.3 36.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p -107.76 115.29 29.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -117.27 82.6 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -149.55 46.1 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -122.24 118.41 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.631 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 35.0 m -139.95 162.76 34.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 18' ' ' VAL . 4.7 m -158.17 118.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.639 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 53.2 t80 -112.91 125.22 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.3 mp -95.91 140.08 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 38.9 mtp85 -123.27 152.28 41.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t30 69.04 45.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' C ' ' A' ' 59' ' ' CYS . 25.9 mt -72.94 156.89 38.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t -100.74 139.07 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -51.8 -28.61 16.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -72.32 -33.92 67.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.855 ' OG ' HD23 ' A' ' 88' ' ' LEU . 34.1 m -49.1 156.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -149.36 140.15 22.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -38.34 -40.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -47.21 81.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.04 -56.97 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.3 tt -40.07 -56.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.89 -44.51 98.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.37 -17.57 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 88' ' ' LEU . 84.2 t -89.75 -40.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 42' ' ' LEU . 33.3 mt -84.45 -9.84 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 13.5 mt-30 -71.8 -32.69 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 39' ' ' PHE . 3.8 pt20 -49.61 -51.08 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 38' ' ' GLN . 59.2 m-85 -57.75 -57.29 13.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.76 -174.72 23.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.21 120.94 22.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD12 ' HG3' ' A' ' 37' ' ' GLN . 16.3 mt -79.52 131.78 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -81.48 -51.7 8.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' TYR . 1.2 p90 -154.56 127.19 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.7 p -116.29 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -122.06 133.19 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 60' ' ' ALA . 4.3 p -119.33 113.29 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.41 134.98 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 56' ' ' SER . 13.6 mt -119.09 164.01 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 8.0 t-80 -59.14 139.53 87.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.81 -43.32 2.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -70.04 -59.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.1 t -107.44 171.13 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.84 52.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -109.06 163.42 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 49' ' ' LEU . 15.7 t -73.4 120.39 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -40.69 69.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.55 4.07 4.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.693 ' C ' HD12 ' A' ' 23' ' ' LEU . 22.1 p -159.04 170.51 21.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.52 159.49 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.639 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 47.0 m-85 -122.81 132.37 54.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.501 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 169.39 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 5.3 tt0 -138.18 140.38 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 12.8 m-85 -98.67 171.91 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.0 mmt -94.91 -12.2 27.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.7 p -144.9 142.01 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -51.82 -49.07 63.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -51.5 -42.76 61.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.28 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.78 -55.57 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.1 mm-40 -53.55 -43.99 68.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -61.53 -26.18 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.968 ' SG ' HG11 ' A' ' 95' ' ' VAL . 1.7 t -79.74 -27.08 40.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD23 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -75.25 -67.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.61 -34.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.68 -35.12 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -69.11 -38.3 78.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -69.58 103.31 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -61.34 -14.3 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -84.29 -37.09 22.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLY . . . -68.1 142.28 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 81' ' ' ALA . 14.7 pt-20 32.36 36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' ALA . . . 38.78 64.61 0.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.16 125.97 1.43 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -133.94 156.86 22.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -93.11 153.78 18.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -146.87 127.78 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.945 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -117.26 120.9 39.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 61.6 26.15 15.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.91 32.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -139.37 129.22 24.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -58.87 140.58 55.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.945 HD11 ' HB2' ' A' ' 88' ' ' LEU . 33.7 mt -112.51 116.8 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -98.7 105.3 17.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.968 HG11 ' SG ' ' A' ' 73' ' ' CYS . 58.7 t -101.44 128.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.98 144.89 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.556 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.04 100.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.631 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.61 -176.55 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.0 t -153.37 145.74 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.5 m -77.69 80.95 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -143.33 176.03 9.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.81 88.56 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' ALA . 15.5 mm-40 -52.48 -48.07 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . -35.52 127.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 106' ' ' SER . . . -109.84 -57.26 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 105' ' ' ALA . 32.5 t -36.68 -60.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 133.57 176.03 14.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -3.85 12.85 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.5 t -53.73 -59.98 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.1 t -45.82 -51.54 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -134.26 142.62 47.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -168.64 168.08 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.35 143.18 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 54.1 p -119.76 153.11 36.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 14.9 m -36.66 104.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.18 150.52 11.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.7 pp -100.55 145.61 30.6 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 150.74 68.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -168.17 124.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -112.31 100.49 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.6 t -70.04 -43.43 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.8 m -106.68 117.78 34.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -99.97 85.88 3.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.81 49.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.0 mttp -124.34 118.97 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.722 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 34.1 m -139.47 162.62 34.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.834 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -157.24 118.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 3.0 t80 -111.48 124.72 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 60' ' ' ALA . 2.3 mp -99.69 130.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ASN . 7.8 ttp180 -107.31 -176.19 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 35.1 t30 34.12 54.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 59' ' ' CYS . 15.2 mt -82.28 149.05 28.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.78 143.67 39.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -67.41 -15.82 63.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -95.22 -17.11 22.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -56.77 151.22 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -134.37 141.95 47.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 45' ' ' VAL . 11.6 tt0 -38.9 -41.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.91 -59.6 4.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.88 -54.59 44.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt -45.03 -49.33 11.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.12 -48.7 67.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.5 -18.39 1.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' ALA . 98.8 t -83.01 -45.97 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.837 ' HB2' HD11 ' A' ' 42' ' ' LEU . 16.9 mt -77.5 -19.26 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.685 ' HG3' HD12 ' A' ' 42' ' ' LEU . 28.3 mt-30 -60.74 -38.25 84.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -41.84 -44.61 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -71.09 -58.68 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -152.24 169.17 31.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -67.52 117.44 9.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 36' ' ' LEU . 10.8 mt -76.52 122.82 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -65.69 -48.66 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.2 p90 -155.73 136.6 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.617 HG22 ' HG3' ' A' ' 29' ' ' GLU . 1.6 p -123.96 115.88 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -128.57 134.95 48.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.84 110.0 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 59' ' ' CYS . 6.7 p -62.29 146.12 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.9 mt -122.12 162.0 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.9 t-80 -57.23 141.26 77.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.825 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.2 Cg_endo -69.7 -39.95 6.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.37 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.7 p -92.21 -176.35 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -112.11 36.21 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -96.89 172.06 8.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -83.41 105.06 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -42.16 -29.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.81 24.92 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -161.84 143.3 11.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' O ' HD12 ' A' ' 20' ' ' ILE . . . -142.73 143.08 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' CE2' ' HD2' ' A' ' 19' ' ' PHE . 20.6 m-85 -101.77 138.36 38.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.834 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -137.75 168.76 19.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.8 tt0 -141.29 141.14 33.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.856 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 15.3 m-85 -101.8 172.01 7.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.4 mmt -88.81 -28.2 20.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.422 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 22.4 p -131.31 145.48 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -53.33 -50.24 65.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -51.75 -38.66 56.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.856 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.58 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.16 -50.86 15.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.676 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.4 mm-40 -57.78 -45.3 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -58.46 -27.5 64.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.961 ' SG ' HG11 ' A' ' 95' ' ' VAL . 9.7 t -76.25 -33.18 59.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.514 HD23 HG12 ' A' ' 95' ' ' VAL . 23.2 mt -68.02 -68.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.68 -28.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.97 -35.07 26.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.3 -28.62 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -71.4 107.7 4.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.726 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.8 pt? -63.06 -10.72 15.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -84.35 -47.29 10.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.14 149.22 12.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -57.44 144.88 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 112.2 -52.99 0.6 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.68 153.93 7.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.14 163.75 28.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.3 mp -92.03 138.63 31.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -134.44 141.37 46.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 93' ' ' LEU . 2.3 tp -124.55 109.8 13.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 61.98 28.28 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 87.01 26.57 31.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -124.63 129.63 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -76.14 106.27 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 88' ' ' LEU . 14.3 mt -80.23 128.08 33.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -107.34 103.64 13.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.961 HG11 ' SG ' ' A' ' 73' ' ' CYS . 45.3 t -97.39 122.95 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.91 144.64 41.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.93 100.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.722 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -84.39 -175.63 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.78 136.51 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.5 m -76.08 105.87 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -168.42 140.42 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.463 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 6.7 m-20 -41.3 118.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -91.08 81.27 5.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.48 134.28 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.09 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -111.78 80.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.34 89.9 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 88.32 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.747 2.298 . . . . 0.0 112.363 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t -151.58 161.24 43.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.8 m -132.93 172.5 12.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -152.7 132.77 13.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -124.3 164.91 18.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.37 66.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -172.91 155.21 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -112.57 112.83 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.87 157.67 9.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.0 mm? -63.1 152.23 84.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -11.31 30.49 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m 52.09 46.65 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.55 44.91 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 12' ' ' VAL . 8.9 p -73.95 -7.77 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -100.23 126.64 46.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -119.51 48.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.7 46.06 1.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' THR . 11.2 mttt -122.42 118.63 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.717 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 37.9 m -139.74 162.85 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.579 ' N ' HG22 ' A' ' 17' ' ' THR . 7.3 m -158.3 119.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.679 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 40.3 t80 -113.06 123.91 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.89 132.69 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -119.57 148.48 43.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t30 72.03 51.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.73 HD12 ' CA ' ' A' ' 59' ' ' CYS . 66.0 mt -79.23 164.97 23.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' CB ' ' HG3' ' A' ' 91' ' ' ARG . 2.9 t -103.72 143.08 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -50.54 -39.05 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -36.33 84.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 p -41.67 147.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ALA . 17.2 mt-10 -145.66 135.39 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 tt0 -35.26 -41.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -62.72 -47.91 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.95 -55.93 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -39.25 -51.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.49 -56.55 23.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -43.09 -25.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.899 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 31' ' ' ALA . 34.5 t -77.56 -50.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.853 ' HB2' HD11 ' A' ' 42' ' ' LEU . 56.1 mt -75.67 -16.51 60.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 42' ' ' LEU . 10.5 mt-30 -68.04 -19.54 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.5 -45.4 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -66.98 -56.1 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.18 175.04 34.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.89 122.81 17.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.352 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 36' ' ' LEU . 15.2 mt -82.36 114.56 20.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -59.71 -47.07 87.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.3 p90 -160.91 140.28 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -127.9 112.66 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -128.89 129.72 45.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -115.47 124.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.761 HG22 ' HG3' ' A' ' 57' ' ' LYS . 7.5 p -67.16 119.07 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD23 ' HA ' ' A' ' 56' ' ' SER . 10.5 mt -118.13 140.57 49.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 53.3 t-80 -56.0 139.45 71.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.897 ' O ' HG22 ' A' ' 53' ' ' THR . 53.5 Cg_endo -69.71 -176.77 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 t70 38.31 25.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 51' ' ' PRO . 12.9 t -177.15 179.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 54' ' ' GLU . 10.2 tm-20 -117.56 39.04 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -87.73 150.8 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.588 ' HA ' HD23 ' A' ' 49' ' ' LEU . 25.9 t -98.27 103.51 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.761 ' HG3' HG22 ' A' ' 48' ' ' VAL . 28.2 mmtt -34.07 -44.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.56 13.14 2.35 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.44 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.73 ' CA ' HD12 ' A' ' 23' ' ' LEU . 31.2 p -157.81 165.31 35.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -157.59 153.34 26.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.4 m-85 -116.29 135.8 53.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.488 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.67 168.83 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . 4.7 tt0 -136.52 137.19 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 9.8 m-85 -94.46 170.79 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.04 -6.57 38.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.413 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 25.0 p -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -53.11 -47.58 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -54.11 -37.61 64.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -57.28 -61.73 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -44.78 -52.05 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.582 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -57.38 -45.34 84.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.75 -26.19 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.777 ' SG ' HG11 ' A' ' 95' ' ' VAL . 20.4 t -78.16 -30.93 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ALA . 23.9 mt -71.06 -67.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.54 -30.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.71 -34.53 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -70.11 -27.79 64.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -70.19 107.02 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 79' ' ' LEU . 2.7 pt? -55.59 -27.92 52.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -43.14 95.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -51.34 131.25 28.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ALA . 30.0 mt-10 -36.48 101.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.01 81.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.512 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . . . -148.63 -35.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' GLY . . . -34.46 135.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 84' ' ' GLY . 10.2 mp -92.87 144.14 25.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -138.35 133.7 33.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.777 ' HB2' HD11 ' A' ' 93' ' ' LEU . 5.9 tp -115.6 100.83 8.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 71.5 27.51 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.29 18.87 54.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HG3' ' CB ' ' A' ' 24' ' ' SER . 30.4 mmt-85 -117.83 116.68 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -61.23 118.85 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 88' ' ' LEU . 18.9 mt -95.02 136.4 35.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -114.86 102.98 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.777 HG11 ' SG ' ' A' ' 73' ' ' CYS . 44.5 t -97.12 123.9 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -136.74 144.01 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.88 100.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.717 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.39 174.45 10.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.8 p -150.58 133.18 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 101' ' ' ARG . 4.2 t -56.69 -47.63 79.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.174 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.457 ' N ' HG23 ' A' ' 100' ' ' THR . 26.1 ttm-85 -58.92 104.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -105.26 132.78 51.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -98.19 43.09 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.38 101.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.63 134.24 33.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 t -52.63 145.33 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.36 -148.22 19.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 129.58 17.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.3 m -106.56 -51.77 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 75.7 m -60.33 151.94 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.52 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -72.39 82.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -152.31 153.68 34.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.53 75.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 m -110.67 135.41 51.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.813 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 p -109.32 151.22 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.64 94.09 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.0 pp -110.23 145.34 31.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.1 Cg_endo -69.75 149.88 67.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' PRO . 83.8 p -35.5 128.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.6 142.16 58.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.31 -53.8 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.7 p -46.86 148.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HG2' ' NE2' ' A' ' 63' ' ' GLN . 10.7 tt0 -94.6 49.67 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' NE2' ' A' ' 67' ' ' GLN . . . -84.79 45.87 3.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 66' ' ' THR . 9.9 mttt -119.32 118.32 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.746 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 33.7 m -140.1 162.92 34.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.878 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 8.1 m -156.59 128.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 59' ' ' CYS . 62.0 t80 -120.2 119.55 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 32' ' ' LEU . 1.7 mp -97.0 132.82 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.15 173.79 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.9 t30 48.38 54.98 9.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD21 ' CG2' ' A' ' 20' ' ' ILE . 18.9 mt -86.18 143.13 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.4 t -78.21 142.12 38.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.2 -17.15 57.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.88 -15.51 29.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' HD23 ' A' ' 88' ' ' LEU . 20.2 m -63.32 155.34 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -133.41 169.73 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.05 -35.8 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.9 -44.76 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.76 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.67 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.4 tt -50.62 -53.32 31.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.44 -49.9 72.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -50.23 -20.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.688 HG21 ' CD1' ' A' ' 88' ' ' LEU . 45.3 t -86.3 -37.26 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.951 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.6 mt -90.03 -1.13 57.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 14.7 mt-30 -81.03 -39.11 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 2.2 pt20 -41.41 -45.95 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -63.82 -58.46 6.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.25 -166.57 13.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -84.88 119.03 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.951 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -82.05 126.5 32.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -71.63 -58.54 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.1 p90 -148.43 129.91 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 p -116.46 113.26 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.3 138.59 52.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -116.01 115.75 50.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.72 139.81 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -103.63 162.0 13.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 8.2 t-80 -58.82 140.56 86.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.7 -45.14 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -69.77 -58.69 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 55' ' ' HIS . 2.0 t -108.72 173.9 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -94.88 47.94 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' H ' HG23 ' A' ' 53' ' ' THR . 5.8 m170 -94.68 169.18 10.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.3 m -86.43 92.26 8.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -38.73 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' SG ' ' A' ' 59' ' ' CYS . . . -83.86 28.68 3.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.8 m -156.53 157.54 35.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -153.29 162.87 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 79.3 m-85 -122.58 142.36 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.878 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -142.11 171.02 14.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' NE2' ' HG2' ' A' ' 14' ' ' GLU . 20.3 tt0 -142.23 133.75 26.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.2 m-85 -96.79 164.49 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mmt -87.27 -16.8 34.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.44 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 22.1 p -138.03 144.66 41.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 15' ' ' GLY . 6.5 mm-40 -60.53 -43.83 96.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -57.73 -30.24 65.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -62.47 -64.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.71 -47.63 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.612 ' N ' HE21 ' A' ' 71' ' ' GLN . 2.2 mm-40 -60.55 -38.04 83.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.96 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 36' ' ' LEU . 44.2 t -75.99 -41.75 50.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 86.0 mt -57.24 -61.25 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.87 -30.14 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.28 -27.9 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.93 -30.91 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -85.93 120.2 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 80' ' ' GLU . 0.2 OUTLIER -73.14 -8.93 57.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 79' ' ' LEU . 31.2 tt0 -83.95 -32.11 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.77 162.55 25.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.34 143.96 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.74 -62.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.544 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.45 178.42 17.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.442 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.65 154.56 16.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 mp -93.02 142.58 27.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -139.64 127.4 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.941 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.5 tp -106.79 98.58 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.26 38.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.02 9.47 87.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -110.87 118.23 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.67 123.53 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 88' ' ' LEU . 23.9 mt -97.0 129.23 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.91 102.16 11.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.44 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 26.7 t -96.71 126.86 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -140.98 141.83 34.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.32 99.92 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.746 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.65 150.14 32.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -100.22 -175.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 p -60.11 92.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -93.53 -38.31 11.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.72 94.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -72.64 93.63 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.66 153.0 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -43.13 145.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -155.04 113.56 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.83 148.97 5.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 102.7 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 20.6 m -86.36 102.07 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.0 p -56.99 101.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -157.05 135.35 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -150.29 158.0 43.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.49 -125.4 1.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -146.14 115.2 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -72.34 103.88 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.03 84.82 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.48 143.01 25.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' SER . 53.5 Cg_endo -69.79 -8.4 23.5 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.27 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' PRO . 6.9 m -35.62 145.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -89.52 175.05 7.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.73 -38.38 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 m -95.88 111.29 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.16 80.95 5.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -129.98 39.93 1.75 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.424 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 66' ' ' THR . 5.2 mttp -121.0 118.61 30.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.775 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 25.0 m -139.98 162.41 35.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.803 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 7.1 m -154.54 120.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 30.3 t80 -112.83 118.77 35.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.512 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.2 mp -95.41 132.48 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -118.59 161.95 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 64.04 48.81 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 59' ' ' CYS . 84.3 mt -85.68 147.53 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -86.93 143.06 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -52.16 -26.06 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -75.16 -32.89 61.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.3 t -48.47 159.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -148.97 175.57 11.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -72.52 -35.5 68.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.79 -48.57 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -70.16 -50.4 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.684 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.3 tt -48.24 -59.33 3.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.25 -48.09 82.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.537 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -52.74 -20.07 2.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' ALA . 80.3 t -81.26 -46.73 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.784 HD22 ' SG ' ' A' ' 73' ' ' CYS . 80.1 mt -74.82 -27.29 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.798 ' HG3' HD12 ' A' ' 42' ' ' LEU . 17.9 mt-30 -53.82 -32.07 51.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 35' ' ' VAL . 3.0 pt20 -53.12 -39.67 63.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -73.51 -39.95 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.37 157.7 21.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.541 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -44.37 144.21 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.798 HD12 ' HG3' ' A' ' 37' ' ' GLN . 14.6 mt -110.8 111.48 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -57.61 -54.69 44.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -152.1 130.47 12.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -117.95 111.9 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -123.75 131.19 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 60' ' ' ALA . 2.5 p -117.79 120.61 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 59' ' ' CYS . 4.9 p -59.36 135.14 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.3 mt -112.92 163.43 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.9 t-80 -56.68 141.1 74.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.5 Cg_endo -69.74 -44.09 2.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -77.52 -55.29 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -100.86 -174.62 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -122.08 58.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -112.03 -76.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 m -175.97 145.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.637 ' HB3' HG13 ' A' ' 48' ' ' VAL . 2.6 tppp? -84.08 -51.97 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.71 -19.89 1.01 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.64 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.9 m -132.97 174.3 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -155.09 153.81 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 20.8 m-85 -119.31 135.19 54.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.803 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.21 167.43 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -135.74 143.71 45.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.893 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 9.4 m-85 -105.41 171.89 7.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.0 mmt -95.39 -21.38 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 38.6 p -137.6 130.08 29.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.83 -53.97 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -48.5 -35.84 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -55.1 -64.3 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.65 -46.59 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.54 ' N ' HE21 ' A' ' 71' ' ' GLN . 3.4 mm-40 -60.38 -41.77 94.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -61.85 -25.04 67.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.784 ' SG ' HD22 ' A' ' 36' ' ' LEU . 5.2 t -79.94 -35.18 38.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 95' ' ' VAL . 41.3 mt -68.42 -65.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.34 -27.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.87 -31.45 17.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.07 -28.56 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 t -91.2 110.95 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.971 HD13 ' N ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -60.62 -23.99 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.971 ' N ' HD13 ' A' ' 79' ' ' LEU . 5.1 pt-20 -78.73 -37.38 41.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.05 157.55 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.4 82.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.45 -70.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.56 -167.54 40.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.58 117.3 1.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.541 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.7 138.37 32.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.897 0.38 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -142.39 138.59 31.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB2' HD11 ' A' ' 93' ' ' LEU . 6.9 tp -115.13 101.3 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 73.26 25.31 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.48 34.19 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -130.31 129.59 43.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.743 0.306 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -73.98 107.86 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 88' ' ' LEU . 6.0 mt -83.93 125.48 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -97.9 102.23 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.695 HG11 ' SG ' ' A' ' 73' ' ' CYS . 40.8 t -99.47 123.65 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.092 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -138.29 144.68 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 99.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -78.22 163.81 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.6 t -126.47 106.43 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.8 m -55.7 103.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.3 170.67 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -85.07 91.82 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.33 92.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.34 102.03 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.57 173.89 14.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.3 p -86.1 152.05 23.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.52 83.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.29 37.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' SER . 39.4 t -77.13 -54.64 6.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.1 p 36.05 42.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.52 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 58.3 43.84 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -118.44 143.63 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.22 160.11 23.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -139.69 164.12 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -158.29 176.65 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.46 -39.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.2 pp -90.44 150.21 42.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 113.31 3.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.23 . . . . 0.0 112.296 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -80.7 174.93 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -174.39 154.63 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.4 t -41.67 111.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' GLY . 10.5 m -155.45 128.8 8.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -55.46 84.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' THR . . . -143.21 46.17 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 66' ' ' THR . 3.6 mttp -122.28 118.52 28.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 44.2 m -140.03 162.98 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.584 ' N ' HG22 ' A' ' 17' ' ' THR . 7.5 m -157.04 118.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 14.1 t80 -112.48 124.26 52.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.1 mp -95.88 134.66 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -119.88 149.52 41.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 t30 72.68 45.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.8 mt -80.68 150.31 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -98.53 136.53 38.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 56' ' ' SER . 97.5 m-85 -51.18 -39.2 55.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.84 -26.7 58.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.554 ' HB2' HD23 ' A' ' 88' ' ' LEU . 40.7 t -62.17 168.66 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -147.17 134.9 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.818 ' HG2' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -37.67 -48.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -57.1 -59.28 5.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.25 -56.05 25.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.738 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.0 tt -39.43 -52.25 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.67 -58.8 11.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -40.86 -26.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 31' ' ' ALA . 67.9 t -76.88 -48.67 25.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD11 ' A' ' 42' ' ' LEU . 52.7 mt -71.89 -28.37 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.671 ' CG ' HD12 ' A' ' 42' ' ' LEU . 37.7 mt-30 -54.38 -33.78 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -45.61 -42.75 11.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -74.45 -41.04 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.53 152.19 18.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.25 116.14 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.832 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' A' ' 36' ' ' LEU . 9.3 mt -75.45 125.01 28.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' HD3' ' CE ' ' A' ' 65' ' ' MET . 16.8 tptp -64.15 -42.43 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 63' ' ' GLN . 1.0 OUTLIER -158.82 144.35 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.818 HG22 ' HG2' ' A' ' 29' ' ' GLU . 2.8 p -130.36 118.84 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -135.93 136.25 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.7 p -119.62 121.73 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 59' ' ' CYS . 5.8 p -59.08 138.58 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -133.44 156.14 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.545 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 1.9 t-80 -62.79 140.65 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.78 -27.65 26.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.31 -51.24 9.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.8 t -133.52 178.47 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.55 45.64 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -92.63 121.31 33.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.583 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.6 p -71.09 112.63 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.23 -36.75 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.42 23.79 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.668 ' O ' HG12 ' A' ' 48' ' ' VAL . 32.0 p -160.61 155.91 24.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -150.59 155.08 38.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 42.3 m-85 -118.69 137.07 53.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.487 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -135.33 178.31 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.62 ' O ' HD23 ' A' ' 42' ' ' LEU . 27.6 tt0 -146.21 153.86 41.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 15.9 m-85 -114.77 170.24 8.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.489 ' CE ' ' HD3' ' A' ' 43' ' ' LYS . 5.1 mmt -85.71 -29.08 24.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.466 ' CA ' ' HD3' ' A' ' 16' ' ' LYS . 58.7 p -138.05 135.5 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 16' ' ' LYS . 72.1 mt-30 -40.9 -53.09 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.54 -44.78 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -54.39 -55.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.69 -48.18 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.653 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.8 mm-40 -59.72 -39.82 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -62.35 -33.7 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.698 ' SG ' HG11 ' A' ' 95' ' ' VAL . 42.8 t -67.85 -35.84 79.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.71 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.45 -33.59 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -30.28 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.66 9.41 9.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -101.41 100.91 11.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.824 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -47.72 -34.88 8.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -53.05 -41.29 64.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 82' ' ' GLU . . . -56.6 115.92 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 81' ' ' ALA . 1.9 pm0 -34.12 110.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.6 86.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.15 -36.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -39.11 134.44 1.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.12 141.73 29.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -143.13 128.82 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.735 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -116.65 105.73 12.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 69.34 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.61 38.48 78.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -136.09 123.7 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -70.88 106.89 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 88' ' ' LEU . 12.2 mt -80.78 132.57 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -108.14 102.4 11.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.698 HG11 ' SG ' ' A' ' 73' ' ' CYS . 59.8 t -96.33 133.09 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -145.64 144.44 30.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.77 103.21 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.731 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -86.83 -178.58 6.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 100' ' ' THR . 14.3 p -169.71 133.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 99' ' ' VAL . 27.0 m -34.69 -54.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -46.08 108.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -101.73 80.97 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 44.93 41.05 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.67 152.33 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.61 149.19 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.7 p -122.78 166.57 14.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -141.54 62.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.555 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.46 2.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.3 p -157.85 115.09 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.6 t -132.72 147.05 52.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -119.44 160.12 22.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -111.35 -43.01 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.29 59.45 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -82.66 130.7 35.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -95.56 91.18 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.21 115.67 6.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 8' ' ' LEU . 4.4 pp -82.39 140.37 45.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -31.09 21.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' 8' ' ' LEU . 10.0 t -61.01 160.79 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.26 169.17 9.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -136.0 139.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.8 m -138.67 136.99 36.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 43.38 43.4 4.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.43 54.63 0.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 66' ' ' THR . 4.4 mttp -129.72 118.67 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.723 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 84.4 m -139.87 161.11 38.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 11.4 m -154.63 118.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.697 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 43.5 t80 -110.67 124.3 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.4 mp -99.23 129.88 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 41.0 mtm180 -116.46 148.39 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 72.83 49.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' CA ' ' A' ' 59' ' ' CYS . 36.4 mt -85.27 160.81 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 p -100.12 136.07 40.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.73 -45.57 19.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.02 -36.48 65.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 p -43.29 151.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -139.0 138.4 37.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 45' ' ' VAL . 14.1 tt0 -38.6 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -69.11 -60.31 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -56.97 -52.31 65.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 32' ' ' LEU . 5.9 tt -45.32 -53.14 8.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -61.35 -59.01 10.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -40.61 -24.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 31' ' ' ALA . 95.4 t -77.11 -51.75 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' HD11 ' A' ' 42' ' ' LEU . 39.1 mt -69.43 -27.95 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.707 ' HG3' HD12 ' A' ' 42' ' ' LEU . 32.3 mt-30 -53.77 -41.48 67.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -38.35 -42.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -75.66 -48.91 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.36 154.65 25.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.02 122.48 11.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -81.06 125.05 29.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -68.0 -44.39 76.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -159.6 129.42 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 29' ' ' GLU . 2.4 p -119.37 111.6 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.23 137.75 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 60' ' ' ALA . 7.6 p -118.7 121.29 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.98 140.4 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 56' ' ' SER . 33.0 mt -130.67 150.43 51.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 4.8 t-80 -61.72 140.59 95.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 54.0 Cg_endo -69.74 -25.72 28.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -78.46 -53.19 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -138.9 177.12 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -79.51 48.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -100.43 91.12 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.461 ' HA ' HD23 ' A' ' 49' ' ' LEU . 10.0 t -44.14 112.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -40.53 -36.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.89 12.76 3.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 31.9 p -147.38 167.24 24.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.547 ' HB2' HG23 ' A' ' 47' ' ' VAL . . . -158.07 155.78 29.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 44.5 m-85 -119.47 133.2 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -132.69 171.62 13.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -140.36 142.25 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.83 ' CD2' ' HB1' ' A' ' 69' ' ' ALA . 20.5 m-85 -102.41 171.87 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.5 mmt -89.53 -25.61 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 40.9 p -133.51 138.82 46.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -48.65 -50.47 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -50.9 -38.07 47.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB1' ' CD2' ' A' ' 64' ' ' PHE . . . -53.7 -60.39 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.11 -45.41 32.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.736 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.0 OUTLIER -61.07 -46.48 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -58.53 -31.52 68.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.747 ' SG ' HG11 ' A' ' 95' ' ' VAL . 7.1 t -72.96 -31.75 64.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 93.3 mt -67.41 -65.92 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.19 -26.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.37 22.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -75.85 -37.29 59.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -67.74 121.35 15.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 79' ' ' LEU . 1.3 pt? -77.2 -23.7 51.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -87.4 1.06 54.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.02 -76.89 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -157.64 118.19 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.69 -48.55 3.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' C ' ' HA ' ' A' ' 79' ' ' LEU . . . 155.26 -178.84 31.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.474 ' N ' ' HA ' ' A' ' 79' ' ' LEU . . . -104.97 -169.37 24.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.04 160.79 15.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -147.71 132.24 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.582 ' HB2' HD11 ' A' ' 93' ' ' LEU . 4.4 tp -116.86 99.22 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.6 27.63 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.35 25.84 35.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -126.5 120.62 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -65.42 120.29 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 88' ' ' LEU . 10.9 mt -94.25 132.14 39.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -110.05 102.6 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.747 HG11 ' SG ' ' A' ' 73' ' ' CYS . 26.0 t -97.48 127.21 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 13.9 t70 -141.59 142.91 33.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.63 100.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.723 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -83.32 -176.7 6.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.02 110.38 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.1 m -83.04 92.31 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.6 ppt_? -66.19 163.37 17.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.74 138.82 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -108.61 41.67 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.86 111.36 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 50.66 42.27 26.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 m -81.13 85.07 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.51 142.25 3.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.1 t -104.03 98.47 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.8 m -151.4 158.13 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.446 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -72.5 98.78 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -83.97 104.94 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.38 -120.38 6.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -128.08 165.1 21.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -153.06 153.34 32.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 19.26 73.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.818 HD22 ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -41.56 150.01 0.36 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.729 . . . . 0.0 110.96 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.641 ' N ' HD22 ' A' ' 8' ' ' LEU . 54.1 Cg_endo -69.74 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -71.88 108.4 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -163.56 171.26 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 12' ' ' VAL . 4.5 p -145.64 108.69 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 p -151.43 165.84 32.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.91 54.77 2.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.02 49.74 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 66' ' ' THR . 3.8 mttp -126.75 118.68 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.77 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 54.7 m -139.77 160.72 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.615 ' CG2' ' HB3' ' A' ' 62' ' ' ALA . 5.8 m -154.45 118.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.747 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 52.2 t80 -112.7 121.98 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 32' ' ' LEU . 3.1 mp -95.86 138.66 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 26.2 mtp180 -121.69 158.77 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t30 66.52 37.77 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.683 HD12 ' C ' ' A' ' 59' ' ' CYS . 18.4 mt -70.25 148.8 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -93.2 138.72 31.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -53.05 -22.9 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -75.96 -35.99 59.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HB2' HD23 ' A' ' 88' ' ' LEU . 48.2 t -49.77 162.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -152.19 143.83 23.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' CG ' HG22 ' A' ' 45' ' ' VAL . 15.4 tt0 -38.85 -40.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -58.29 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -61.24 -57.02 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 32' ' ' LEU . 4.1 tt -39.31 -58.82 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.98 -48.1 81.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.531 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.76 -19.32 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' ALA . 58.7 t -87.29 -32.81 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.811 ' HB2' HD11 ' A' ' 42' ' ' LEU . 29.3 mt -88.52 -19.03 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.81 ' CG ' HD12 ' A' ' 42' ' ' LEU . 27.0 mt-30 -67.49 -28.43 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -49.84 -43.88 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -69.18 -49.41 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.87 179.77 38.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.98 127.56 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 36' ' ' LEU . 16.7 mt -89.96 119.34 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' ' NE2' ' A' ' 63' ' ' GLN . 17.8 tptm -61.25 -46.09 91.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -162.97 135.32 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.408 HG22 ' CG ' ' A' ' 29' ' ' GLU . 1.2 p -120.65 112.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.33 134.64 52.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' HB2' ' A' ' 60' ' ' ALA . 3.8 p -118.13 126.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 48' ' ' VAL . 13.2 p -67.14 118.94 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -115.3 163.58 15.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 3.7 t-80 -58.73 141.15 85.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.83 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 50' ' ' HIS . 53.6 Cg_endo -69.77 -12.49 32.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -115.66 -43.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -116.32 -178.44 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -108.82 51.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -102.5 120.52 40.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.5 t -52.38 103.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -39.36 -37.84 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.88 1.63 2.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.683 ' C ' HD12 ' A' ' 23' ' ' LEU . 29.0 p -156.81 166.32 33.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -150.49 164.92 34.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.747 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 48.7 m-85 -128.84 133.6 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . . . -133.76 171.82 13.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' HG2' ' A' ' 43' ' ' LYS . 3.7 tt0 -139.65 138.33 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.914 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 14.0 m-85 -97.85 171.89 8.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mtp -95.07 -20.05 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.424 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 9.2 p -135.95 129.51 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.25 -50.07 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 12.5 tp10 -50.59 -40.74 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.914 ' HB1' ' CD1' ' A' ' 64' ' ' PHE . . . -50.13 -63.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.03 -43.63 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.7 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.6 mm-40 -65.67 -37.12 85.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HE3' ' CG ' ' A' ' 68' ' ' GLU . 67.6 mttt -68.89 -23.91 64.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.36 -35.55 27.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 95' ' ' VAL . 60.9 mt -67.32 -61.21 2.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.02 -33.21 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.06 -28.33 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 74' ' ' LEU . . . -80.08 -12.01 59.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 t -106.22 101.53 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.819 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.68 -19.28 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.804 ' N ' HD22 ' A' ' 79' ' ' LEU . 7.1 pt-20 -82.52 -28.14 31.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.65 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -130.96 33.33 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.04 42.07 59.76 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' C ' ' HA ' ' A' ' 79' ' ' LEU . . . -152.66 119.92 1.01 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.8 148.27 19.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 mp -88.39 154.86 20.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -147.47 148.01 30.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 93' ' ' LEU . 3.3 tp -129.99 97.85 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.95 40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.95 13.89 82.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -114.74 128.3 56.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -71.84 113.3 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' A' ' 88' ' ' LEU . 32.7 mt -83.85 106.82 15.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -90.72 102.62 15.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.498 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 18.4 t -100.45 130.15 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 74' ' ' LEU . 11.6 t70 -141.79 144.56 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.92 100.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.77 ' HB3' ' CG2' ' A' ' 17' ' ' THR . . . -82.76 -178.6 7.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.5 t -139.6 120.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 m -86.98 -64.82 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.74 140.65 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -116.41 152.32 34.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.68 42.72 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.24 100.39 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.7 134.02 36.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -63.02 -47.23 83.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.51 83.6 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 126.33 13.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -149.42 111.8 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.8 t -87.81 -46.62 9.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.981 . . . . . . . . 0 0 . 1 stop_ save_