data_2rsj_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 2rsj _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 10' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 63.7 m-85 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.937 0.399 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -104.73 135.16 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -83.85 122.67 29.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 11.3 pt-20 -85.59 32.95 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 1.4 m-85 -126.99 -51.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -122.46 23.02 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.5 t30 47.56 44.35 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -97.68 171.81 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.53 138.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 m-85 -134.48 128.84 34.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . 90.1 m-85 -87.95 169.22 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 41.0 tttm -87.22 -53.62 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 21' ' ' PHE . 6.7 p80 -48.21 -33.26 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.66 -47.12 85.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -51.42 -61.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -56.42 -34.23 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.15 -44.86 94.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -50.49 -17.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 1.9 mmp_? -48.25 -51.47 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -64.5 -19.45 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 65.3 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.555 0.693 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -41.03 4.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 70.2 m-85 -91.65 114.0 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -111.59 149.81 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.48 133.49 38.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.92 9.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.84 -175.74 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 29.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -77.18 120.41 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.91 149.51 52.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -156.89 133.32 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -54.76 -31.81 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 50' ' ' LYS . 12.0 mt -72.68 159.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 3.3 mptt -94.8 -50.3 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -58.73 -53.59 56.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.0 t-20 -35.71 -46.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.16 -55.2 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -44.94 -49.6 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.95 -43.79 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -55.95 -52.59 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.5 mt -45.22 -46.12 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -48.57 -34.33 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.27 -35.65 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.79 0.329 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 33.8 m-85 -115.16 107.2 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.26 141.68 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.7 t -70.2 138.03 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.08 -35.49 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.44 -58.1 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -111.28 -177.22 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -95.53 39.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.22 122.55 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -106.8 137.64 44.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.75 149.83 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.8 -40.51 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 m -99.03 172.62 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 65.3 tttt -98.17 -51.99 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.98 -38.9 25.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -60.85 -45.12 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.2 tp -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.63 -46.8 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.06 -32.34 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.417 ' ND1' HG21 ' A' ' 87' ' ' VAL . 3.0 t60 -64.64 -29.05 70.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.15 -25.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -88.01 -20.37 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -100.09 -44.58 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG21 ' ND1' ' A' ' 83' ' ' HIS . 24.4 t -81.47 -62.25 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -75.97 10.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.943 0.401 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -86.69 137.55 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.0 t -86.04 119.1 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.93 19.0 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.562 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 14.0 m-85 -115.31 -37.16 4.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.52 27.02 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 39.67 50.7 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' C ' HG23 ' A' ' 18' ' ' VAL . 28.1 mttp -105.84 170.89 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 17' ' ' LYS . 47.0 t -137.31 128.09 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD1' HD13 ' A' ' 25' ' ' LEU . 33.4 m-85 -122.21 160.76 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 42.3 tttt -102.45 -39.02 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.441 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 47.7 m-85 -98.84 145.44 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -66.16 -57.46 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -51.47 -39.43 57.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -54.14 -50.27 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.538 HD13 ' CD1' ' A' ' 19' ' ' PHE . 4.6 tp -72.73 -47.89 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -47.52 -46.04 27.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.48 -16.24 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -85.42 -42.84 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.439 HD21 ' CE2' ' A' ' 14' ' ' TYR . 32.9 mt -54.41 -17.12 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -50.04 -44.54 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.93 -24.46 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . 92.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CZ ' ' CG ' ' A' ' 50' ' ' LYS . 42.4 m-85 -75.38 118.4 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 145.94 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.89 132.57 50.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.22 25.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -77.53 -61.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -174.99 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -83.57 21.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 3.9 t80 -77.68 128.44 34.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.53 151.47 51.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -139.55 167.17 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.9 -18.58 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.28 127.69 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 7.1 mtpm? -58.78 -43.05 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.83 98.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -59.75 -44.56 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.83 -33.52 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.19 -40.97 97.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.95 -39.81 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -58.1 -53.52 57.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.2 mt -41.73 -37.34 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.26 -44.13 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -48.31 -44.6 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.26 107.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.71 129.78 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 t -62.76 142.79 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.02 -41.04 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.51 -47.59 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 p -126.05 -179.26 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 m -96.91 69.14 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 50.3 t80 -117.49 129.9 56.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.5 p -118.57 133.49 55.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.3 t -140.79 141.94 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 75' ' ' LEU . 9.9 mp -80.23 43.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 m -161.6 144.31 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -79.41 -50.09 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.49 94.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -54.99 -42.26 72.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.31 -57.24 13.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -49.09 -55.81 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.3 -35.32 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.16 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -89.6 -27.31 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -83.36 -22.19 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LYS . 18.1 mmt85 -99.49 -50.95 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -75.9 -61.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.19 12.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' ARG . 32.2 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 61.2 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 m -91.11 121.66 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.71 124.96 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.68 27.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.529 ' CB ' ' CD2' ' A' ' 32' ' ' HIS . 4.1 m-85 -123.77 -41.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.51 30.7 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 25.2 t-20 40.31 47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -104.16 -179.12 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.58 145.8 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' HD12 ' A' ' 25' ' ' LEU . 40.1 m-85 -142.92 121.44 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -59.77 -42.17 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.46 148.93 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.47 -51.37 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -59.41 -32.56 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -58.07 -50.35 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 19' ' ' PHE . 22.6 tp -64.24 -58.4 6.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.0 mm-40 -34.86 -57.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -37.6 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.3 t60 -66.12 -51.75 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -38.12 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' HIS . 69.0 mtm180 -53.33 -48.4 68.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -44.74 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.529 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 85.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.615 0.722 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -51.4 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -71.23 108.42 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -105.56 149.03 26.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -88.39 119.47 70.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -93.83 -53.18 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -128.41 -177.36 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -81.85 40.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 17.3 t80 -100.17 130.37 46.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.03 139.82 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -133.72 157.04 46.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.63 -44.63 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -86.09 141.69 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -61.77 -59.98 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.68 -54.67 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -40.35 -53.04 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.5 tp -56.13 -51.95 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -48.47 -36.78 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.08 -28.73 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.435 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 22.1 t60 -85.26 -31.64 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.24 -46.32 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -50.8 -17.53 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -75.25 -43.19 52.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.3 mttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 63.4 m-85 -99.77 107.51 19.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.46 141.57 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.36 143.6 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -46.11 65.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -67.06 -62.82 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.8 p -104.53 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -100.89 40.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 6.8 t80 -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -107.2 139.87 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 26.4 p -144.03 167.53 22.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.49 42.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -172.44 118.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.4 tptp -55.31 -47.77 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.1 92.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -59.75 -27.04 66.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.07 -46.29 52.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.79 -52.57 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.91 -24.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.7 mt -75.72 -18.08 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -93.42 -25.35 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -98.39 -43.69 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.21 -63.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.51 2.42 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -101.04 146.83 26.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -92.15 131.81 37.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.58 27.64 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 75.5 m-85 -126.34 -38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.1 26.87 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.07 46.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -100.66 176.39 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 97.0 t -139.06 148.55 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 24.8 m-85 -144.24 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -82.39 -40.92 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -100.91 145.42 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.93 -62.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 11.4 p-80 -42.75 -42.12 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -57.25 -40.8 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -74.04 -44.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -52.41 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -66.21 -38.39 87.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.16 -12.7 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -54.62 -43.06 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.49 -21.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.56 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.91 121.78 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -124.26 147.03 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.79 124.73 89.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.64 3.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -111.58 -55.2 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.79 -174.82 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -84.41 28.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 5.4 t80 -85.04 119.75 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -136.38 156.6 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 t -161.12 133.88 6.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.85 -30.77 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.44 149.41 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -79.0 -56.3 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -49.15 -56.0 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.053 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 4.8 t-20 -35.78 -51.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.87 -42.23 99.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 41.7 m-20 -62.1 -40.95 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.07 -23.29 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -80.78 -42.19 22.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.83 -47.31 74.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 64' ' ' LYS . 41.9 mtt-85 -44.85 -29.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -65.51 -46.72 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 18.5 mttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -115.94 113.5 23.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.51 150.68 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.23 136.44 38.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.88 -34.06 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 51.8 m-85 -77.62 -68.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.8 p -92.9 -175.16 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 m -101.38 30.29 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 49.7 t80 -73.93 156.76 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 72' ' ' PHE . 68.3 p -143.99 137.5 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 27.3 p -142.97 -177.44 5.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.98 45.44 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -167.34 130.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -57.96 -62.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.46 -49.67 38.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.29 -38.12 18.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.79 -41.44 83.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -63.74 -58.4 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.99 -25.41 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -67.94 -48.3 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -67.08 -15.26 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.41 -33.66 13.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -98.48 -12.98 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 83' ' ' HIS . 47.7 t -102.91 -66.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 96.7 m-70 -77.75 -34.65 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -97.52 112.79 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.9 t -54.97 127.55 29.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.4 28.81 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CE1' HD23 ' A' ' 29' ' ' LEU . 76.9 m-85 -123.24 -45.22 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -125.61 25.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 28.0 t30 46.24 43.67 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' CYS . 23.2 mttm -101.6 165.4 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.97 139.93 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -133.85 152.39 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.4 -39.71 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 7.2 m-85 -102.43 151.39 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 3.4 p-80 -42.11 -45.91 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -51.46 -47.23 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.49 -48.14 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -51.62 -53.63 36.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.29 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -75.66 -22.99 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 14' ' ' TYR . 43.5 mt -70.61 -7.92 47.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.27 -49.56 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.4 pt -61.67 -23.46 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 58.6 m-85 -72.56 120.44 18.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -109.6 150.28 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.3 130.16 72.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.92 12.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -108.23 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.8 p -112.73 -174.75 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -83.96 24.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 30.0 t80 -81.86 128.48 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.8 145.7 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -137.44 136.66 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.7 mm -101.73 125.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 6.0 mtmp? -56.08 -35.27 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.95 95.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -64.95 -35.6 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.1 -45.74 83.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.16 -45.23 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.76 -40.48 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.75 -49.78 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.54 -42.94 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -45.55 -42.32 10.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -50.5 -45.85 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 27.1 m-85 -97.52 110.74 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.57 148.15 28.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.5 t -77.84 138.72 39.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.24 -44.48 65.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 59.4 m-85 -69.63 -61.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.17 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.2 m -95.6 40.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -84.91 149.17 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -131.63 138.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 75' ' ' LEU . 34.8 t -132.63 161.0 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' N ' ' SG ' ' A' ' 74' ' ' CYS . 3.9 mm? -83.03 -42.61 17.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.4 p -90.59 -179.86 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -112.61 -15.52 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.41 -29.11 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -73.3 -34.21 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 tp -61.84 -41.32 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -65.07 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.21 -24.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.95 -31.79 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -79.77 -31.71 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -80.04 -21.32 43.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' LYS . 3.7 mmp_? -99.4 -48.91 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.52 -60.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.414 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 94.6 m-70 -77.85 14.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' ARG . 21.3 mttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.953 0.406 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 m -85.45 145.41 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.82 128.16 38.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 6.2 pt-20 -92.0 34.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.519 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 16.7 m-85 -131.13 -40.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.1 p -131.28 25.63 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.48 52.18 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -108.07 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -137.31 135.13 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -134.02 115.21 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -59.48 -25.36 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 20' ' ' LYS . 87.9 m-85 -98.77 155.69 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.21 -39.75 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -65.5 -39.34 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -53.92 -58.47 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 tp -53.23 -51.78 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -54.2 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.59 61.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -79.6 -44.36 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -47.67 -23.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -50.34 -47.38 55.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -49.17 -29.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.442 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 67.5 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 46' ' ' ALA . 36.5 mttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.545 0.688 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.96 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 68.8 m-85 -71.03 106.55 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.51 148.21 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' TYR . 48.9 t -80.08 119.29 76.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.21 5.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -109.05 -43.96 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.12 -176.42 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -81.89 43.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 7.7 t80 -100.57 122.94 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . . . -134.41 151.84 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -162.17 118.87 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.56 -42.88 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.05 139.02 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -74.13 -59.44 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.56 -36.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.68 -58.38 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.44 -42.54 43.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.54 -41.15 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.07 -18.8 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 39.4 t60 -90.52 -43.02 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -55.52 -54.8 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -40.41 -35.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -56.53 -44.88 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.57 123.93 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 132.4 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.02 147.55 38.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -41.33 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 78.6 m-85 -67.91 -41.04 83.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.67 -179.98 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.4 p -96.32 63.66 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 30.8 t80 -111.21 121.59 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -107.14 131.96 53.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 22.2 p -139.33 151.62 46.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.22 45.3 0.99 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 114.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -43.91 -51.86 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.81 -50.35 44.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.3 -36.51 42.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.5 tp -70.97 -33.09 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -73.78 -52.64 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 83' ' ' HIS . 8.8 p -65.0 -21.22 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.413 ' N ' HG11 ' A' ' 82' ' ' VAL . 18.1 t60 -72.7 -40.12 66.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.4 mt -77.1 -26.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -83.01 -24.09 33.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -99.53 -48.88 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.93 -58.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.5 m-70 -80.15 16.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.6 mmtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.897 0.379 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -104.73 143.64 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.84 127.07 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.08 17.68 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -114.43 -38.49 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -127.49 13.44 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 m120 49.06 54.55 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -111.8 168.9 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 78.8 t -132.42 145.11 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 12.0 m-85 -139.03 169.47 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -106.28 -40.05 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.472 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 95.1 m-85 -96.21 141.02 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -63.57 -51.89 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 21.6 p-80 -58.43 -43.01 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -46.4 -58.65 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 25.5 tp -69.2 -46.51 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -45.2 -45.97 11.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -24.17 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -77.53 -45.24 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -50.17 -17.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 13.0 mtp-105 -55.9 -48.46 75.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -58.73 -22.53 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 8.4 mptt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 50' ' ' LYS . 99.0 m-85 -73.97 126.92 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -133.24 146.7 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.18 130.85 85.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 0.83 5.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -114.01 -43.02 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.99 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -76.92 47.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 4.9 t80 -95.03 120.45 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . . . -131.88 138.24 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -129.42 -10.5 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 69.61 25.07 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -150.11 145.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 18.0 mttm -72.74 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.96 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.42 -56.62 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -46.12 -51.94 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -50.98 -39.15 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.58 -33.18 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.647 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 24.1 t60 -64.91 -49.44 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.7 -45.31 19.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.96 -38.36 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -52.68 -47.62 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.43 126.01 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.71 146.86 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.68 135.58 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.79 -38.05 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.7 m-85 -68.44 -58.31 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.75 -179.26 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 t -98.07 67.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -115.62 153.5 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -138.01 143.77 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.4 p -143.64 -176.88 5.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.71 44.28 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -170.85 116.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -49.98 -43.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.67 96.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -53.6 -44.91 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.6 tp -54.3 -55.33 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -50.57 -52.19 41.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.49 -42.22 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -54.89 -45.08 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.32 -9.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 89' ' ' LYS . 85.9 mt-10 -93.02 -34.38 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' LYS . 93.6 mtt180 -100.02 -47.56 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 83' ' ' HIS . 63.9 t -61.13 -69.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.424 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 97.5 m-70 -73.1 -35.63 66.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 86' ' ' ARG . 9.1 mptt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 12' ' ' CYS . 22.0 m -100.81 147.31 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 11' ' ' THR . 34.4 t -95.73 129.62 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.38 33.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -130.05 -39.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.22 25.02 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.72 46.99 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 86.5 t -143.78 150.1 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 3.2 m-85 -144.24 147.02 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -96.81 18.31 14.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.477 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -147.56 155.8 42.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -78.67 -48.13 15.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 36.3 p-80 -60.64 -36.59 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.6 p -54.63 -59.72 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' HIS . 20.7 tp -60.07 -61.69 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 12.8 mm100 -36.57 -55.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.99 79.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' ARG . 7.7 t60 -63.4 -56.06 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.0 mt -38.74 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' HIS . 80.5 mtt180 -49.6 -46.39 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 32' ' ' HIS . 6.2 pt -53.28 -24.76 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 31' ' ' ILE . 88.0 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 26.0 mtmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 54.6 m-85 -73.22 115.45 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -112.37 148.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.3 t -82.49 123.04 79.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.36 11.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.56 -58.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 17.8 p -119.82 -174.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -84.36 31.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 2.8 t80 -90.05 136.75 32.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.463 ' HB2' ' CB ' ' A' ' 36' ' ' LYS . . . -140.76 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 p -164.6 144.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.76 -23.22 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.59 139.81 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 40.0 mttt -58.01 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.04 -49.42 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.62 -48.54 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -54.43 -38.88 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.22 -22.12 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -89.26 -38.53 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.62 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -46.12 -26.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -66.41 -45.33 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.94 116.68 32.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.01 134.34 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.63 142.22 57.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.48 -41.56 46.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 60.3 m-85 -68.53 -52.19 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.6 p -117.86 -178.85 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.7 p -100.78 67.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -116.37 122.21 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -105.35 138.28 41.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.5 p -141.57 170.99 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.02 41.72 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -47.25 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -38.5 95.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -56.01 -39.97 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.68 -55.58 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -49.33 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.94 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -56.07 -38.69 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.33 -22.01 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -98.89 -41.86 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.06 -64.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.411 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.9 m-70 -72.2 -31.61 66.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.475 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 55.3 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -96.14 142.52 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -88.85 124.22 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.437 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -88.38 32.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 13' ' ' GLU . 30.5 m-85 -128.87 -43.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.74 21.36 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 46.09 52.07 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -106.13 172.49 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.88 127.8 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 28' ' ' HIS . 56.5 m-85 -124.69 119.96 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -65.11 -38.82 91.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -94.94 153.65 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 9.8 ttmt -69.3 -62.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -48.51 -43.78 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -46.44 -41.39 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 19' ' ' PHE . 20.9 tp -76.37 -55.49 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 22' ' ' LYS . 6.9 mp0 -46.47 -50.79 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 -20.25 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 t60 -82.54 -45.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -49.36 -19.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -49.51 -50.67 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 32' ' ' HIS . 9.8 pt -53.4 -24.2 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.41 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 29.6 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 37.5 m-85 -71.08 102.8 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -104.4 144.53 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -73.12 128.34 87.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.743 2.295 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -112.05 -67.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.56 -174.51 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -83.93 28.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 3.2 t80 -85.34 125.72 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -136.89 165.15 26.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 117.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.71 -23.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.04 138.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 17.8 mmtt -67.47 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' LYS . . . -37.47 -50.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -46.64 -45.44 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 tp -68.09 -53.25 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -45.12 -48.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.66 -37.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -58.9 -49.36 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -48.54 -33.96 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -73.82 -26.15 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -72.7 -21.48 61.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.7 109.12 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.58 145.5 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -77.54 141.06 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.06 -44.92 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.403 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 55.6 m-85 -66.51 -59.1 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -114.02 -176.15 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 m -99.85 72.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -119.27 130.48 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -117.63 141.03 48.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.9 t -137.96 167.34 21.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.3 -41.96 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.6 m -102.19 170.15 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLY . 29.2 tttm -86.82 -54.78 4.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -38.5 -50.9 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.456 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -48.04 -49.1 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -53.98 -56.04 21.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -54.32 -44.6 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.41 -30.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.4 t60 -70.56 -36.28 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -77.61 -30.68 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 5.5 mm-40 -84.37 -19.8 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -100.43 -46.57 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' A' ' 89' ' ' LYS . 29.6 t -81.38 -60.84 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.403 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 85.8 m-70 -77.67 14.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 19.6 mmtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.959 0.409 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -109.05 125.56 52.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 t -69.06 127.02 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.28 27.13 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 38.8 m-85 -122.32 -38.24 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.28 21.51 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 29.4 t30 47.3 48.96 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -104.66 170.26 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -134.82 134.3 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -130.37 126.54 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -57.41 -49.13 77.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 87.2 m-85 -98.08 156.17 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -74.5 -49.83 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 27.3 p80 -50.85 -46.29 60.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 m -52.6 -45.11 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -67.98 -51.04 51.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -41.87 -61.0 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.68 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CE1' HD13 ' A' ' 31' ' ' ILE . 6.4 t60 -60.81 -48.17 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -42.58 -23.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' HIS . 58.3 mtp180 -53.36 -47.07 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.513 HD13 ' CE1' ' A' ' 28' ' ' HIS . 5.3 pt -45.72 -22.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' N ' HG13 ' A' ' 31' ' ' ILE . 83.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 21.2 mttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CD1' ' HD2' ' A' ' 50' ' ' LYS . 67.4 m-85 -82.61 124.19 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.35 145.26 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.82 120.72 82.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -3.27 11.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -105.24 -46.73 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.0 p -134.16 -174.8 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -68.67 -22.62 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 21.3 t80 -38.64 134.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -140.78 154.9 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.2 m -143.55 154.25 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -34.71 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mt -94.78 149.45 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HD2' ' CD1' ' A' ' 38' ' ' TYR . 13.7 tptm -68.63 -53.58 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -54.21 -56.02 22.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 47.8 t-20 -34.9 -52.26 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.98 -54.91 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -38.67 -40.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.6 -53.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -47.14 -43.03 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 mt -50.11 -31.59 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -55.98 -36.72 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -118.46 123.18 44.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.62 151.95 18.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.9 t -82.64 141.61 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -72.46 -47.42 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -65.14 -59.64 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.19 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 34.26 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.75 155.61 26.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.1 p -140.77 146.71 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.4 t -144.97 145.39 31.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 75' ' ' LEU . 4.1 mm? -62.96 -38.68 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.0 p -103.48 154.44 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -80.15 -52.71 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.92 -35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -70.37 -36.95 74.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.81 -40.62 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -64.13 -58.84 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.87 -30.87 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -63.8 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 63.1 mt -73.74 -20.94 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 62.1 mt-10 -93.93 -22.42 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 mtt-85 -101.58 -24.33 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' ND1' ' A' ' 83' ' ' HIS . 42.6 t -102.41 -64.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 84' ' ' ILE . 90.5 m-70 -70.69 -9.88 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 35.5 mmtt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.943 0.402 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 95.3 m -104.29 106.15 16.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' LYS . 8.0 t -51.39 134.15 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -97.42 33.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.34 -50.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -109.78 5.7 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 63.17 34.17 13.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' CYS . 33.3 mttt -98.94 161.61 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG21 ' N ' ' A' ' 19' ' ' PHE . 5.5 p -141.59 139.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 1.4 m-85 -125.69 132.27 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.96 -28.04 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.95 158.12 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -81.89 -49.05 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -52.35 -38.4 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -56.98 -60.9 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' HIS . 4.2 tp -57.46 -53.19 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -40.36 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.04 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 26.5 t60 -67.65 -54.14 22.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.43 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mtt-85 -50.47 -51.09 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.9 pt -53.53 -24.62 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 28.1 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.75 -48.84 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.47 113.25 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -111.97 149.44 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -82.17 126.3 74.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.75 14.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 60' ' ' HIS . 10.0 mt-30 -107.28 -62.44 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 p -112.5 -177.35 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -83.64 35.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 4.1 t80 -89.2 123.5 33.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.22 154.54 46.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -163.51 159.61 22.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.55 36.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 mt -148.51 137.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -81.82 -40.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -54.33 48.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -52.56 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.61 -56.09 17.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -42.69 -51.25 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' HIS . 57.5 t -64.04 -62.04 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 32.0 t60 -35.28 -47.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -46.07 -46.68 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 59' ' ' LYS . 5.7 ptm180 -43.68 -42.92 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 42.6 mtmt -49.91 -39.43 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 42' ' ' GLN . 64.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 43.7 m-85 -89.8 112.97 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.52 134.59 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.9 149.77 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.31 -41.25 15.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 9.5 m-85 -71.97 -48.22 46.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.3 p -116.17 -178.63 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -83.08 154.88 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -144.04 144.3 31.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.2 p -139.84 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 HD21 ' N ' ' A' ' 75' ' ' LEU . 4.4 mm? -92.5 -42.15 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -110.41 134.34 52.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 26.3 pttt -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.56 -45.24 8.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.4 -48.73 78.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.02 -50.8 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -50.65 -55.3 17.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.16 -43.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.16 -36.47 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.8 mt -78.06 -37.7 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mt-10 -74.3 -20.36 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -100.01 -52.12 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.0 -58.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 69' ' ' TYR . 91.1 m-70 -78.57 15.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 39.1 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 67.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -98.85 114.25 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.98 131.05 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.12 20.05 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CB ' ' CE1' ' A' ' 32' ' ' HIS . 20.3 m-85 -116.94 -43.48 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' ASN . 27.1 p -127.01 33.61 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' CYS . 22.8 t-20 35.11 48.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 19.8 mtpt -105.28 167.02 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 62.9 t -134.73 149.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 35.6 m-85 -144.41 123.94 13.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -61.71 -38.82 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 83.9 m-85 -98.17 140.14 32.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 86.1 tttt -62.95 -51.7 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 24' ' ' SER . 36.5 p-80 -52.72 -46.09 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.1 t -45.5 -54.11 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.93 -54.65 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -41.66 -56.52 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.26 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' CE1' HD12 ' A' ' 31' ' ' ILE . 8.1 t60 -70.27 -42.08 72.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -50.68 -17.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 32' ' ' HIS . 11.9 pt -56.2 -27.16 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 31' ' ' ILE . 97.3 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.595 0.712 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.3 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 78.0 m-85 -65.29 111.76 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -99.65 150.35 22.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.9 t -84.94 134.86 40.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.73 21.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -77.68 -63.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 22.1 p -114.19 -175.42 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.8 m -85.01 28.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' CYS . 20.7 t80 -81.15 126.11 31.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . . . -128.74 144.8 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 m -138.12 172.81 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.69 -50.01 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.9 mm -72.12 139.63 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -63.16 -36.8 84.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.98 47.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -42.43 -46.07 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.13 -45.85 92.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -56.37 -47.65 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.6 -30.96 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -71.33 -50.12 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.37 -38.35 12.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -48.23 -42.46 30.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -52.4 -42.22 63.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.11 108.61 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.75 128.77 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.4 t -57.84 143.81 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -84.3 -36.01 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -71.81 -48.62 45.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -126.98 177.86 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -90.12 56.05 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -110.35 112.79 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -93.3 126.99 38.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.5 t -120.56 138.04 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.79 -23.15 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 p -113.81 111.37 21.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -53.64 -27.89 29.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.63 -52.13 45.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.89 -41.73 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.67 -28.99 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -68.33 -52.56 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -66.61 -25.33 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -64.24 -39.9 94.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.5 mt -77.07 -25.6 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.2 mm-40 -83.13 -25.59 31.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LYS . 10.9 mmm180 -99.91 -49.11 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.7 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.462 ' CE1' ' CB ' ' A' ' 69' ' ' TYR . 97.7 m-70 -79.27 16.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.429 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.3 mmtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -92.34 127.21 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -72.6 126.9 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -89.21 30.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.1 m-85 -127.08 -49.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -119.72 19.64 12.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.67 42.53 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -98.24 179.14 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -140.47 144.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -137.83 152.0 48.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -88.38 -40.68 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 70.8 m-85 -99.65 150.14 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -54.49 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 12.4 p-80 -53.54 -37.18 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -53.76 -42.79 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.3 -52.84 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -45.06 -45.16 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -69.72 -42.56 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.409 HD22 ' CE1' ' A' ' 14' ' ' TYR . 98.0 mt -47.97 -19.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -52.76 -47.77 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -66.61 -21.3 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 60.6 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 87.1 m-85 -70.23 109.35 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.69 150.24 24.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . 45.1 t -84.54 133.91 43.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -39.31 6.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.396 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' OE1' ' SG ' ' A' ' 40' ' ' CYS . 20.6 mp0 -73.64 -57.67 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 20.8 p -117.64 -175.67 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 p -86.03 25.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.602 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 11.1 t80 -76.17 132.46 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.0 150.64 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 p -150.13 125.89 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 -39.4 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -87.2 133.9 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 15.7 mtpt -61.87 -61.58 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.88 -44.87 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -52.04 -46.44 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 tp -58.84 -53.55 57.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -45.38 -54.43 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 21.7 t -55.13 -29.01 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 36.5 t60 -81.46 -39.02 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.85 -53.3 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 55' ' ' VAL . 14.2 ptp180 -43.34 -29.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -62.37 -43.88 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 82.9 m-85 -111.71 128.2 56.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 149.99 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 t -81.64 141.79 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -34.44 41.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 83.7 m-85 -77.06 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.35 -177.15 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.9 p -93.13 32.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.437 ' CD2' ' CG ' ' A' ' 83' ' ' HIS . 28.4 t80 -77.03 140.63 40.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.4 p -134.86 135.94 42.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.0 t -137.84 161.78 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.4 41.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 79' ' ' HIS . 4.2 t -168.07 121.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 20.5 pttp -55.05 -38.57 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.24 39.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.447 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 19.4 m-70 -51.82 -42.85 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 65' ' ' PHE . 34.0 tp -56.26 -51.44 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -56.58 -50.83 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CG ' ' CD2' ' A' ' 72' ' ' PHE . 3.6 t60 -53.34 -35.84 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.4 mt -77.57 -37.77 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 28.9 mt-10 -74.7 -20.82 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -99.82 -51.79 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 38.9 t -78.32 -57.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.4 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 87.4 m-70 -79.09 16.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 18.3 mmtt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.918 0.39 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 m -105.93 125.39 50.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.51 114.88 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.31 -20.63 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.401 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 13.6 m-85 -71.17 -59.83 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASN . 26.2 p -109.26 30.33 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.6 m-20 33.61 46.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -99.43 174.45 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.48 133.68 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' HD13 ' A' ' 25' ' ' LEU . 54.9 m-85 -127.78 129.43 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 7.9 mtpp -84.16 20.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 51.2 m-85 -152.41 136.69 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -61.88 -54.19 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 13.0 p80 -55.3 -43.24 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -51.69 -45.72 63.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' CD1' ' A' ' 19' ' ' PHE . 24.6 tp -69.86 -43.94 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -50.86 -55.72 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.71 -24.63 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -74.73 -53.09 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt -45.68 -21.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -49.76 -27.74 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 32' ' ' HIS . 8.2 pt -85.52 -25.73 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' ILE . 98.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.79 -51.26 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 26.9 m-85 -69.18 128.93 38.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -126.64 140.05 52.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.28 123.66 88.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 6.05 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.495 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 3.7 mm-40 -117.05 -66.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.5 p -110.26 -174.6 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -83.82 32.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.753 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 5.3 t80 -90.98 118.55 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.06 156.1 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -154.93 145.35 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -79.88 42.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 48' ' ' ALA . 5.1 mt -152.71 172.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -103.46 -47.3 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.39 -57.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -41.42 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.51 -57.12 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.12 -39.56 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -72.35 -55.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.753 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 10.2 t60 -41.47 -41.13 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.77 -40.8 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -32.37 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 86.5 mttt -60.31 -39.29 86.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 42' ' ' GLN . 48.7 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -105.39 112.77 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 134.99 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.47 140.82 46.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.86 -42.94 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 70.4 m-85 -68.16 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.1 p -110.49 -177.02 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 t -99.05 65.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 74' ' ' CYS . 35.2 t80 -110.13 129.59 55.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 p -119.97 128.77 53.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t -136.31 172.64 12.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 4.4 mp -113.68 47.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -168.84 110.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -48.57 -36.63 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.54 92.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.83 -32.81 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -66.46 -35.71 80.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -70.32 -63.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 83' ' ' HIS . 14.5 p -49.94 -23.41 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' N ' HG12 ' A' ' 82' ' ' VAL . 13.6 t60 -74.07 -43.56 57.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.57 -21.88 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 35.0 mm-40 -92.83 -23.07 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -99.68 -50.56 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 89' ' ' LYS . 55.1 t -79.36 -60.0 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.401 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.5 m-70 -76.73 13.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 24.4 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -107.31 126.69 52.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.16 132.28 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -95.38 30.49 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 18.4 m-85 -126.47 -46.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -123.15 21.5 9.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 48.18 46.36 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -99.28 171.45 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 58.2 t -143.67 139.24 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -135.45 144.25 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -69.44 -53.8 17.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 96.8 m-85 -91.61 158.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -75.99 -36.62 59.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 34.4 p80 -56.7 -48.84 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 13.1 p -48.22 -52.48 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 19' ' ' PHE . 11.5 tp -66.42 -46.39 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -49.98 -44.48 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.97 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -89.52 -36.53 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.29 -18.35 36.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -48.3 -50.28 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 32' ' ' HIS . 15.7 pt -60.89 -33.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 77.0 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.564 0.697 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -44.73 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.716 2.277 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 19.7 m-85 -83.02 127.51 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -121.15 145.07 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -78.34 133.75 63.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.65 24.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' OE1' ' CG ' ' A' ' 60' ' ' HIS . 36.7 mt-30 -79.45 -60.08 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.37 -174.88 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.0 m -84.38 23.22 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -76.16 115.35 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.94 139.3 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -127.7 152.14 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.06 -11.77 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.9 mm -122.22 133.9 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 4.9 mmtp -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.0 89.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -42.58 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -55.51 -40.7 72.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.51 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -55.92 -47.87 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.1 mt -48.13 -47.82 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -48.45 -28.26 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.26 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CG ' ' OE1' ' A' ' 42' ' ' GLN . 22.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.24 111.09 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.88 136.16 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.8 t -64.96 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.25 -23.45 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -87.43 -52.19 5.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -118.42 -177.45 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -93.75 34.4 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -80.45 123.93 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -112.82 136.38 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.94 173.67 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 75' ' ' LEU . 4.1 mm? -116.24 36.64 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.4 p -170.78 116.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -43.62 -52.1 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.91 -63.79 1.87 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -43.07 -50.42 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 tp -53.94 -51.3 64.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -57.18 -59.17 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 -26.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -66.36 -36.01 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -77.48 -29.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.435 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.6 mm-40 -81.82 -21.86 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -99.93 -47.21 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 89' ' ' LYS . 52.3 t -77.87 -63.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -78.97 18.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 10.4 mmtp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.937 0.399 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 17' ' ' LYS . 91.4 m -108.1 125.28 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.97 132.97 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -96.64 32.25 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -130.44 -35.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -130.55 11.35 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 23.5 t30 54.42 47.39 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 11' ' ' THR . 28.0 mttp -102.36 -177.76 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.88 145.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -141.25 130.77 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.59 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.538 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 39.2 m-85 -105.16 154.8 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -75.78 -51.07 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 43.3 p-80 -48.28 -43.43 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -52.76 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.03 -41.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 44.3 mt-30 -57.26 -50.22 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' C ' ' HD3' ' A' ' 30' ' ' ARG . . . -69.49 -20.55 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.2 t60 -78.98 -53.34 7.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' HIS . 26.1 mt -37.42 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' HIS . 1.5 mpt_? -52.12 -55.24 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' CE1' ' A' ' 28' ' ' HIS . 5.0 pt -47.31 -23.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.439 ' N ' HG13 ' A' ' 31' ' ' ILE . 74.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 49.0 m-85 -69.9 129.42 39.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.57 148.39 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' TYR . 49.0 t -75.96 128.76 82.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.66 8.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -110.59 -61.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.5 p -114.53 -176.1 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -83.53 37.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' CYS . 8.7 t80 -93.65 115.62 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.18 38.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -138.97 153.27 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.45 -27.6 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 mm -106.38 126.09 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 5.9 mmmt -49.68 -41.82 44.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.71 94.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.28 -39.85 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.31 -36.41 76.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -64.98 -27.55 68.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.57 -33.96 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -67.56 -42.49 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -54.24 -37.28 64.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -55.21 -19.74 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -74.17 -45.6 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 73' ' ' THR . 7.8 ttpp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 12.9 m-85 -116.23 119.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.85 34.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.78 138.92 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.09 -36.9 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.7 m-85 -75.28 -59.64 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 p -108.54 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -98.32 31.94 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -78.24 139.98 38.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 64' ' ' LYS . 2.4 p -132.65 143.15 49.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 t -145.04 147.69 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.88 -6.31 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -125.78 127.92 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 13.0 ptmt -68.72 -36.86 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.32 -39.7 83.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -72.56 -36.34 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.31 -35.48 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -56.2 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.0 -38.22 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -51.71 -40.81 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.78 -19.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 89' ' ' LYS . 19.8 mt-10 -93.21 -22.93 18.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -100.55 -47.57 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.2 -62.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 83.9 m-70 -71.63 -35.51 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE1' ' HE2' ' A' ' 22' ' ' LYS . 73.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -84.62 144.33 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.6 t -91.1 124.5 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -88.1 34.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.66 -42.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -130.48 27.8 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 41.28 45.26 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' C ' HG22 ' A' ' 18' ' ' VAL . 20.7 mtpt -100.02 176.59 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG22 ' C ' ' A' ' 17' ' ' LYS . 57.8 t -139.22 128.76 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -124.73 115.71 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.52 -13.94 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 87.8 m-85 -118.87 145.03 46.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 11.3 tppt? -71.32 -52.79 16.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -53.48 -43.62 68.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.56 -48.0 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -47.2 -61.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.08 -40.48 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' LEU . 17.9 t60 -60.8 -54.69 42.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' HIS . 24.6 mt -34.83 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -45.66 -49.05 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.69 -34.69 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 29.4 m-85 -71.49 101.66 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.76 132.12 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.2 t -65.09 122.79 81.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.28 5.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.48 -57.13 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 19.3 p -120.74 -175.73 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 m -83.89 33.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 8.1 t80 -92.9 116.17 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.12 146.08 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -145.23 161.7 38.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.9 -20.29 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.15 126.73 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 6.2 mmtp -56.34 -52.1 65.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.0 -52.85 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -47.1 -45.59 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 57' ' ' LEU . 9.7 tt -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -53.11 -43.54 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.3 -36.24 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.28 -54.86 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 53' ' ' LEU . 19.7 mt -39.34 -37.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -44.45 -51.89 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -46.75 -49.65 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -111.89 109.48 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.82 127.28 38.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.69 141.99 24.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.42 -40.66 50.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 50.5 m-85 -68.78 -58.08 4.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -113.66 -176.4 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -100.67 70.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 42.0 t80 -120.42 119.06 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -103.04 135.73 44.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.1 t -136.67 171.4 14.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.77 43.63 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -167.44 151.96 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -81.15 -50.51 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.31 -43.77 98.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -52.24 -42.25 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.67 -55.22 37.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -52.51 -51.33 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.31 -41.48 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.58 -41.96 86.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.6 mt -71.54 -22.91 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.14 -21.47 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.69 -23.76 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.7 t -102.61 -64.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 89.7 m-70 -71.43 -11.45 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -94.9 100.7 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LYS . 5.8 t -42.15 115.17 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -86.2 32.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CE1' HD21 ' A' ' 29' ' ' LEU . 83.8 m-85 -127.59 -42.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -126.74 25.55 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 t-20 47.01 46.11 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' CYS . 18.4 mtpt -107.8 170.1 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -133.71 135.61 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CD1' HD13 ' A' ' 25' ' ' LEU . 44.5 m-85 -130.26 132.24 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 21' ' ' PHE . 22.4 ttpt -73.07 -35.25 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 3.2 m-85 -103.39 138.61 39.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -64.08 -52.21 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 7.1 p-80 -53.29 -45.13 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' N ' ' CD2' ' A' ' 23' ' ' HIS . 3.3 m -50.72 -39.43 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 19' ' ' PHE . 11.2 tp -75.47 -40.79 56.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -52.29 -45.29 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -76.89 -13.2 60.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t60 -93.0 -15.81 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD21 ' CE1' ' A' ' 14' ' ' TYR . 39.3 mt -81.67 -34.28 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.36 -32.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 32' ' ' HIS . 2.2 pt -70.3 -38.47 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 -38.44 7.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 83.2 m-85 -84.33 118.71 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -115.47 148.35 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.7 t -84.8 121.87 74.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.09 4.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -108.82 -54.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.21 -174.59 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -82.4 38.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 7.8 t80 -95.09 128.48 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.39 141.54 35.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.2 m -142.57 127.23 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 38' ' ' TYR . . . -44.09 -48.08 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -88.14 134.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -65.92 -43.9 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.98 -55.21 7.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -53.66 -52.7 59.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.5 -50.16 68.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -45.9 -43.12 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.98 -36.05 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 28.7 t60 -60.44 -42.58 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.9 mt -52.67 -44.43 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -39.97 13.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -54.26 -39.72 67.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.777 0.323 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.03 105.44 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.18 130.86 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.2 t -57.99 134.23 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.49 -32.01 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 37.5 m-85 -84.99 -67.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -97.53 -176.75 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.0 t -97.33 40.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 24.3 t80 -88.43 119.11 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -101.94 135.45 43.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 39.9 t -131.85 157.25 44.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -78.82 -41.99 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -94.47 161.41 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -86.75 -62.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.51 -52.67 2.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -46.85 -57.24 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -42.59 -52.76 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -53.05 -52.4 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.62 -37.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.407 ' ND1' HG22 ' A' ' 87' ' ' VAL . 3.8 t60 -63.26 -38.62 91.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -75.74 -20.43 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.1 -23.77 18.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -99.7 -47.31 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.407 HG22 ' ND1' ' A' ' 83' ' ' HIS . 38.5 t -77.21 -63.06 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 84.0 m-70 -72.02 -35.88 69.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 50.4 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.2 m -108.03 132.26 53.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 t -77.39 149.9 35.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -100.67 -15.26 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -79.88 -52.61 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASN . 21.3 p -114.91 26.16 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 49.7 m-80 35.28 43.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -93.2 175.91 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.01 146.05 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -143.6 115.05 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -47.81 -50.47 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -95.38 159.81 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 23.2 ttpt -79.19 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -44.12 -32.17 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 m -66.67 -40.24 88.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -72.96 -43.72 61.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -51.88 -51.63 55.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -26.98 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.4 t60 -71.27 -50.91 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.3 mt -40.82 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.2 mtm180 -52.91 -47.51 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -58.48 -23.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.439 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 46' ' ' ALA . 8.0 mtmp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.571 0.701 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.74 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 28.5 m-85 -75.55 130.89 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HB1' ' A' ' 46' ' ' ALA . 44.6 mttt -131.26 149.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.8 t -101.46 114.02 65.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.15 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.394 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 4.1 mm-40 -99.78 -64.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' TYR . 26.9 p -118.34 41.95 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m 39.63 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' CYS . 5.0 t80 -78.76 118.22 20.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB1' ' CG ' ' A' ' 39' ' ' LYS . . . -119.69 147.44 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 t -148.75 149.11 30.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.419 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -78.45 44.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.437 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 2.7 mt -154.99 161.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -98.96 -46.16 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.95 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -40.09 -46.27 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.24 -56.84 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.65 -42.55 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.17 -48.05 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -51.6 -45.29 63.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.95 -47.65 64.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -45.04 -45.1 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -47.0 -34.89 6.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 42' ' ' GLN . 79.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 28.9 m-85 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.95 127.26 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.37 152.73 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -86.79 -43.32 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.5 m-85 -69.84 -46.42 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.0 p -117.53 177.68 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -96.83 37.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 40.1 t80 -80.05 155.45 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 p -139.28 139.66 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 28.3 p -142.95 -177.69 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.86 41.86 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -173.82 108.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 28.2 pttt -45.85 -46.91 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.42 49.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -49.96 -45.15 51.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.84 -56.43 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -43.14 -39.75 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.2 t -78.54 -42.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.427 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.8 t60 -54.49 -37.81 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -76.96 -22.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' LYS . 80.9 mt-10 -93.4 -20.77 20.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -100.35 -39.42 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.427 HG21 ' ND1' ' A' ' 83' ' ' HIS . 39.5 t -84.1 -64.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.4 m-70 -71.75 -36.76 70.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -108.48 121.89 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.52 120.72 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.91 30.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -124.6 -42.86 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -129.08 26.31 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 44.96 52.76 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -110.39 170.3 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -137.59 135.45 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CD1' HD11 ' A' ' 25' ' ' LEU . 24.7 m-85 -133.74 115.77 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -54.26 -47.31 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.49 152.12 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -75.03 -52.99 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -52.48 -37.34 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -58.42 -43.7 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 19' ' ' PHE . 9.8 tp -70.37 -55.87 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -39.52 -53.79 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.504 ' CE1' HD12 ' A' ' 31' ' ' ILE . 7.9 t60 -64.59 -51.6 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.69 -25.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -49.02 -42.55 38.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.504 HD12 ' CE1' ' A' ' 28' ' ' HIS . 21.4 pt -55.27 -26.99 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 65.5 m-85 -75.6 107.03 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -109.29 141.35 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.0 t -74.59 121.69 85.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -105.9 -58.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.87 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -82.56 44.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 3.0 t80 -103.38 122.57 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 36' ' ' LYS . . . -133.51 155.33 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 p -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.63 -38.61 6.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -103.29 131.87 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HE2' ' CE1' ' A' ' 38' ' ' TYR . 8.5 ptpt -64.99 -43.2 93.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.06 -43.31 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -66.57 -38.88 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.01 -47.35 80.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -46.81 -45.07 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.62 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -61.74 -54.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.3 mt -41.82 -42.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -44.72 -44.38 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -48.35 -50.16 31.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -105.73 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.05 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' CYS . 13.6 t -63.15 144.08 57.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -76.68 -38.54 54.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 31.3 m-85 -75.29 -47.4 28.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 20.9 p -121.68 -177.68 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -97.55 47.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -96.11 117.28 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -100.77 133.55 45.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 30.2 t -129.92 147.53 51.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.82 -40.72 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 p -97.76 177.39 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.16 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.92 -56.98 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -48.08 -47.99 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.78 -55.29 36.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -50.55 -49.92 54.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.43 -43.27 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.43 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.5 t60 -51.23 -39.12 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 59.8 mt -75.68 -17.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 89' ' ' LYS . 45.6 mt-10 -93.2 -25.11 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -100.6 -44.13 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.43 HG21 ' ND1' ' A' ' 83' ' ' HIS . 53.8 t -77.25 -63.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 88.9 m-70 -71.12 -26.44 63.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 4.8 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -68.79 144.92 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -135.21 106.89 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.77 39.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 171.91 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -164.18 109.08 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.9 -80.97 0.34 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.55 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -111.59 175.67 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.36 142.18 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 63.7 m-85 -102.95 109.18 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -104.73 135.16 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -83.85 122.67 29.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 11.3 pt-20 -85.59 32.95 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 1.4 m-85 -126.99 -51.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -122.46 23.02 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.5 t30 47.56 44.35 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -97.68 171.81 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.53 138.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 m-85 -134.48 128.84 34.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . 90.1 m-85 -87.95 169.22 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 41.0 tttm -87.22 -53.62 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 21' ' ' PHE . 6.7 p80 -48.21 -33.26 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.66 -47.12 85.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -51.42 -61.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -56.42 -34.23 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.15 -44.86 94.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -50.49 -17.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 1.9 mmp_? -48.25 -51.47 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -64.5 -19.45 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 65.3 m-70 -92.07 57.9 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 p -151.42 125.24 9.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -120.77 94.0 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -117.54 -12.27 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -94.08 151.74 39.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -41.03 4.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 70.2 m-85 -91.65 114.0 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -111.59 149.81 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.48 133.49 38.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.92 9.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.84 -175.74 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 29.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -77.18 120.41 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.91 149.51 52.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -156.89 133.32 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -54.76 -31.81 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 50' ' ' LYS . 12.0 mt -72.68 159.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 3.3 mptt -94.8 -50.3 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -58.73 -53.59 56.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.0 t-20 -35.71 -46.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.16 -55.2 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -44.94 -49.6 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.95 -43.79 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -55.95 -52.59 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.5 mt -45.22 -46.12 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -48.57 -34.33 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.27 -35.65 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -71.02 92.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.6 77.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.94 -97.32 2.31 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.443 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -139.29 129.97 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -94.88 166.32 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 33.8 m-85 -115.16 107.2 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.26 141.68 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.7 t -70.2 138.03 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.08 -35.49 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.44 -58.1 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -111.28 -177.22 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -95.53 39.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.22 122.55 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -106.8 137.64 44.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.75 149.83 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.8 -40.51 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 m -99.03 172.62 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 65.3 tttt -98.17 -51.99 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.98 -38.9 25.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -60.85 -45.12 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.2 tp -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.63 -46.8 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.06 -32.34 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.417 ' ND1' HG21 ' A' ' 87' ' ' VAL . 3.0 t60 -64.64 -29.05 70.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.15 -25.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -88.01 -20.37 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -100.09 -44.58 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG21 ' ND1' ' A' ' 83' ' ' HIS . 24.4 t -81.47 -62.25 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -75.97 10.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -152.42 147.19 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.09 28.99 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.9 mt -130.44 122.94 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -142.68 170.51 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -169.15 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.16 8.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -168.97 148.06 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -157.12 173.29 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.49 -148.95 5.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.7 172.47 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.7 mt -128.25 147.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -127.47 92.95 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 m -86.69 137.55 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.0 t -86.04 119.1 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.93 19.0 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.562 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 14.0 m-85 -115.31 -37.16 4.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.52 27.02 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 39.67 50.7 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' C ' HG23 ' A' ' 18' ' ' VAL . 28.1 mttp -105.84 170.89 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 17' ' ' LYS . 47.0 t -137.31 128.09 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD1' HD13 ' A' ' 25' ' ' LEU . 33.4 m-85 -122.21 160.76 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 42.3 tttt -102.45 -39.02 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.441 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 47.7 m-85 -98.84 145.44 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -66.16 -57.46 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -51.47 -39.43 57.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -54.14 -50.27 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.538 HD13 ' CD1' ' A' ' 19' ' ' PHE . 4.6 tp -72.73 -47.89 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -47.52 -46.04 27.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.48 -16.24 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -85.42 -42.84 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.439 HD21 ' CE2' ' A' ' 14' ' ' TYR . 32.9 mt -54.41 -17.12 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -50.04 -44.54 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.93 -24.46 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . 92.8 m-70 -91.98 35.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.6 p -115.66 175.41 5.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -41.58 163.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.43 141.01 29.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.56 124.64 10.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CZ ' ' CG ' ' A' ' 50' ' ' LYS . 42.4 m-85 -75.38 118.4 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 145.94 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.89 132.57 50.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -28.22 25.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -77.53 -61.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -174.99 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -83.57 21.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 3.9 t80 -77.68 128.44 34.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.53 151.47 51.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -139.55 167.17 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.9 -18.58 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.28 127.69 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 7.1 mtpm? -58.78 -43.05 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.83 98.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -59.75 -44.56 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.83 -33.52 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.19 -40.97 97.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.95 -39.81 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -58.1 -53.52 57.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.2 mt -41.73 -37.34 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.26 -44.13 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -48.31 -44.6 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.62 89.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -166.91 142.14 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.68 -173.9 31.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -49.42 111.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -66.72 160.08 26.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.26 107.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.71 129.78 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 t -62.76 142.79 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.02 -41.04 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.51 -47.59 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 p -126.05 -179.26 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 m -96.91 69.14 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 50.3 t80 -117.49 129.9 56.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.5 p -118.57 133.49 55.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.3 t -140.79 141.94 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 75' ' ' LEU . 9.9 mp -80.23 43.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 m -161.6 144.31 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -79.41 -50.09 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.49 94.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -54.99 -42.26 72.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.31 -57.24 13.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -49.09 -55.81 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.3 -35.32 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.16 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -89.6 -27.31 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -83.36 -22.19 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LYS . 18.1 mmt85 -99.49 -50.95 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -75.9 -61.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -77.19 12.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' ARG . 32.2 mttm -155.46 129.8 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -105.38 162.75 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 tt -71.19 126.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -92.4 42.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -113.6 170.75 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.73 158.81 14.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -174.21 123.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.5 t -174.56 152.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.53 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 11.6 ptmt -134.1 178.64 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.06 144.86 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 61.2 m-85 -113.95 94.49 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 m -91.11 121.66 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.71 124.96 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.68 27.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.529 ' CB ' ' CD2' ' A' ' 32' ' ' HIS . 4.1 m-85 -123.77 -41.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.51 30.7 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 25.2 t-20 40.31 47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -104.16 -179.12 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.58 145.8 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CD1' HD12 ' A' ' 25' ' ' LEU . 40.1 m-85 -142.92 121.44 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -59.77 -42.17 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.46 148.93 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.47 -51.37 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -59.41 -32.56 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -58.07 -50.35 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 19' ' ' PHE . 22.6 tp -64.24 -58.4 6.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.0 mm-40 -34.86 -57.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -37.6 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.3 t60 -66.12 -51.75 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -38.12 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' HIS . 69.0 mtm180 -53.33 -48.4 68.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -44.74 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.529 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 85.4 m-70 -89.35 -36.13 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' ARG . 6.9 t -117.3 48.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -164.5 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -123.29 144.31 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.05 132.41 22.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -51.4 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -71.23 108.42 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -105.56 149.03 26.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -88.39 119.47 70.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -93.83 -53.18 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -128.41 -177.36 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -81.85 40.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 17.3 t80 -100.17 130.37 46.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.03 139.82 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -133.72 157.04 46.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.63 -44.63 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -86.09 141.69 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -61.77 -59.98 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.68 -54.67 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -40.35 -53.04 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.5 tp -56.13 -51.95 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -48.47 -36.78 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.08 -28.73 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.435 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 22.1 t60 -85.26 -31.64 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.24 -46.32 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -50.8 -17.53 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -75.25 -43.19 52.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -61.49 -72.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -43.08 148.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.91 -67.91 1.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -148.88 121.98 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -72.72 147.39 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 63.4 m-85 -99.77 107.51 19.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.46 141.57 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.36 143.6 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -46.11 65.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -67.06 -62.82 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.8 p -104.53 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -100.89 40.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 6.8 t80 -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -107.2 139.87 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 26.4 p -144.03 167.53 22.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.49 42.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -172.44 118.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.4 tptp -55.31 -47.77 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.1 92.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -59.75 -27.04 66.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.07 -46.29 52.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.79 -52.57 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.91 -24.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.7 mt -75.72 -18.08 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -93.42 -25.35 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -98.39 -43.69 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.21 -63.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.51 2.42 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -149.8 -175.33 4.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -118.25 -44.4 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.2 mm -116.22 145.14 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -146.32 139.15 25.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -145.79 165.0 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.29 115.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -102.72 132.8 48.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -59.16 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.49 50.92 51.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 173.89 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.83 149.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -121.38 113.88 20.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 m -101.04 146.83 26.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -92.15 131.81 37.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.58 27.64 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 75.5 m-85 -126.34 -38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.1 26.87 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.07 46.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -100.66 176.39 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 97.0 t -139.06 148.55 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 24.8 m-85 -144.24 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -82.39 -40.92 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -100.91 145.42 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.93 -62.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 11.4 p-80 -42.75 -42.12 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -57.25 -40.8 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 tp -74.04 -44.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -52.41 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -66.21 -38.39 87.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.16 -12.7 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -54.62 -43.06 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.49 -21.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 89.4 m-70 -94.0 -39.51 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.1 p -119.29 117.0 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -94.05 121.07 35.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -132.88 93.12 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -144.68 119.13 5.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.56 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.91 121.78 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -124.26 147.03 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.79 124.73 89.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.64 3.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -111.58 -55.2 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.79 -174.82 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -84.41 28.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 5.4 t80 -85.04 119.75 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -136.38 156.6 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 t -161.12 133.88 6.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.85 -30.77 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.44 149.41 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -79.0 -56.3 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -49.15 -56.0 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.053 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 4.8 t-20 -35.78 -51.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.87 -42.23 99.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 41.7 m-20 -62.1 -40.95 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.07 -23.29 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -80.78 -42.19 22.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.83 -47.31 74.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 64' ' ' LYS . 41.9 mtt-85 -44.85 -29.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -65.51 -46.72 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -48.1 -69.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -56.65 -35.22 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.68 -76.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -152.59 162.29 41.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 18.5 mttt -125.47 154.73 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -115.94 113.5 23.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.51 150.68 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.8 t -77.23 136.44 38.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.88 -34.06 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 51.8 m-85 -77.62 -68.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.8 p -92.9 -175.16 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 m -101.38 30.29 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 49.7 t80 -73.93 156.76 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 72' ' ' PHE . 68.3 p -143.99 137.5 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 27.3 p -142.97 -177.44 5.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.98 45.44 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -167.34 130.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -57.96 -62.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.46 -49.67 38.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.29 -38.12 18.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.8 tp -67.79 -41.44 83.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -63.74 -58.4 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.99 -25.41 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.511 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 0.6 OUTLIER -67.94 -48.3 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -67.08 -15.26 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.41 -33.66 13.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' C ' ' HB3' ' A' ' 90' ' ' LYS . 91.7 mtt-85 -98.48 -12.98 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 83' ' ' HIS . 47.7 t -102.91 -66.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 96.7 m-70 -77.75 -34.65 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -100.84 41.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HB3' ' C ' ' A' ' 86' ' ' ARG . 4.7 tppp? -175.58 134.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.57 126.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -162.28 155.73 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -131.26 154.37 48.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.8 -132.77 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 9.1 t -154.01 165.11 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.86 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 86.1 p -37.02 149.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.98 73.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.95 -177.23 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 52.5 mt -152.94 133.03 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CE2' ' HE2' ' A' ' 8' ' ' LYS . 48.6 m-85 -98.63 98.42 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -97.52 112.79 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.9 t -54.97 127.55 29.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.4 28.81 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CE1' HD23 ' A' ' 29' ' ' LEU . 76.9 m-85 -123.24 -45.22 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -125.61 25.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 28.0 t30 46.24 43.67 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' CYS . 23.2 mttm -101.6 165.4 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.97 139.93 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -133.85 152.39 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.4 -39.71 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.434 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 7.2 m-85 -102.43 151.39 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 3.4 p-80 -42.11 -45.91 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -51.46 -47.23 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.49 -48.14 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -51.62 -53.63 36.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.29 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -75.66 -22.99 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 14' ' ' TYR . 43.5 mt -70.61 -7.92 47.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.27 -49.56 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.4 pt -61.67 -23.46 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -84.3 -39.87 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -87.02 88.85 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -145.02 169.24 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -106.26 68.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -144.26 116.89 5.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 58.6 m-85 -72.56 120.44 18.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -109.6 150.28 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.3 130.16 72.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.92 12.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -108.23 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.8 p -112.73 -174.75 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -83.96 24.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 30.0 t80 -81.86 128.48 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.8 145.7 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -137.44 136.66 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.7 mm -101.73 125.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 6.0 mtmp? -56.08 -35.27 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.95 95.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -64.95 -35.6 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.1 -45.74 83.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.16 -45.23 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.76 -40.48 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.75 -49.78 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -44.54 -42.94 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -45.55 -42.32 10.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' THR . 43.2 mttt -50.5 -45.85 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -56.0 85.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' LYS . 9.0 t -171.87 118.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 46.72 -147.86 2.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.431 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -135.84 151.47 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -101.8 124.47 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 27.1 m-85 -97.52 110.74 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.57 148.15 28.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.5 t -77.84 138.72 39.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.24 -44.48 65.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 59.4 m-85 -69.63 -61.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.17 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.2 m -95.6 40.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -84.91 149.17 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -131.63 138.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 75' ' ' LEU . 34.8 t -132.63 161.0 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' N ' ' SG ' ' A' ' 74' ' ' CYS . 3.9 mm? -83.03 -42.61 17.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.4 p -90.59 -179.86 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -112.61 -15.52 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.41 -29.11 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -73.3 -34.21 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 tp -61.84 -41.32 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -65.07 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.21 -24.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.95 -31.79 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.3 mt -79.77 -31.71 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -80.04 -21.32 43.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' LYS . 3.7 mmp_? -99.4 -48.91 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.52 -60.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.414 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 94.6 m-70 -77.85 14.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' ARG . 21.3 mttm -155.68 173.47 16.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -147.93 151.26 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' LYS . 2.6 tp -35.77 124.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -165.38 163.5 19.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -174.22 172.54 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.32 -179.37 46.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -162.22 164.81 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -173.42 121.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.9 -157.01 9.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -124.37 165.48 17.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' CG2' HG11 ' A' ' 18' ' ' VAL . 62.3 mt -127.61 151.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -124.36 91.99 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 m -85.45 145.41 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.82 128.16 38.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 6.2 pt-20 -92.0 34.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.519 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 16.7 m-85 -131.13 -40.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.1 p -131.28 25.63 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.48 52.18 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -108.07 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG11 ' CG2' ' A' ' 9' ' ' ILE . 99.5 t -137.31 135.13 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -134.02 115.21 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -59.48 -25.36 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 20' ' ' LYS . 87.9 m-85 -98.77 155.69 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.21 -39.75 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -65.5 -39.34 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -53.92 -58.47 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.4 tp -53.23 -51.78 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -54.2 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.59 61.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -79.6 -44.36 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -47.67 -23.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -50.34 -47.38 55.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 pt -49.17 -29.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 67.5 m-70 -84.14 -41.47 17.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 p -103.61 86.85 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -171.72 178.72 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -128.5 -41.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' CB ' ' HB3' ' A' ' 46' ' ' ALA . 36.5 mttp -42.28 111.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.96 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 68.8 m-85 -71.03 106.55 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.51 148.21 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' TYR . 48.9 t -80.08 119.29 76.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.21 5.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -109.05 -43.96 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.12 -176.42 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -81.89 43.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 7.7 t80 -100.57 122.94 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . . . -134.41 151.84 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -162.17 118.87 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.56 -42.88 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.05 139.02 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -74.13 -59.44 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.56 -36.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.68 -58.38 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.44 -42.54 43.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.54 -41.15 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.07 -18.8 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 39.4 t60 -90.52 -43.02 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -55.52 -54.8 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -40.41 -35.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -56.53 -44.88 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' THR . 95.2 m-70 -64.63 -63.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 60' ' ' HIS . 11.5 t 33.18 48.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.49 -64.73 1.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -157.23 144.07 18.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -132.83 117.99 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -66.57 123.93 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 132.4 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.02 147.55 38.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -41.33 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 78.6 m-85 -67.91 -41.04 83.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.67 -179.98 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.4 p -96.32 63.66 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 30.8 t80 -111.21 121.59 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -107.14 131.96 53.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 22.2 p -139.33 151.62 46.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.22 45.3 0.99 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 114.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -43.91 -51.86 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.81 -50.35 44.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.3 -36.51 42.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.5 tp -70.97 -33.09 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -73.78 -52.64 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 83' ' ' HIS . 8.8 p -65.0 -21.22 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' N ' HG11 ' A' ' 82' ' ' VAL . 18.1 t60 -72.7 -40.12 66.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.4 mt -77.1 -26.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -83.01 -24.09 33.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -99.53 -48.88 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.93 -58.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.5 m-70 -80.15 16.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.6 mmtt -155.62 153.64 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -118.49 147.1 43.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.63 17.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.837 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -81.61 95.42 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -157.35 178.12 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.64 166.15 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -116.21 -40.93 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m 46.39 53.33 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.42 161.0 38.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -101.79 166.7 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.5 mt -134.86 136.54 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -93.52 99.54 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -104.73 143.64 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.3 t -89.84 127.07 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.08 17.68 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -114.43 -38.49 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -127.49 13.44 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 m120 49.06 54.55 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -111.8 168.9 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 78.8 t -132.42 145.11 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE1' ' CD1' ' A' ' 25' ' ' LEU . 12.0 m-85 -139.03 169.47 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -106.28 -40.05 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.472 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 95.1 m-85 -96.21 141.02 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -63.57 -51.89 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 21.6 p-80 -58.43 -43.01 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -46.4 -58.65 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 25.5 tp -69.2 -46.51 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -45.2 -45.97 11.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -24.17 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -77.53 -45.24 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -50.17 -17.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 13.0 mtp-105 -55.9 -48.46 75.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -58.73 -22.53 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.7 m-70 -89.07 -75.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -51.07 122.1 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -168.41 177.93 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -92.32 129.33 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 8.4 mptt -113.36 136.77 21.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 50' ' ' LYS . 99.0 m-85 -73.97 126.92 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -133.24 146.7 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.18 130.85 85.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 0.83 5.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -114.01 -43.02 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.99 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -76.92 47.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 4.9 t80 -95.03 120.45 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 36' ' ' LYS . . . -131.88 138.24 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -129.42 -10.5 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 69.61 25.07 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.9 mt -150.11 145.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 18.0 mttm -72.74 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.96 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.42 -56.62 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.9 tp -46.12 -51.94 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -50.98 -39.15 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.58 -33.18 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.647 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 24.1 t60 -64.91 -49.44 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.7 -45.31 19.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.96 -38.36 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -52.68 -47.62 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -52.99 95.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.9 p -139.78 127.19 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.89 -128.58 6.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.83 154.18 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.402 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -117.18 139.69 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.43 126.01 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.71 146.86 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -78.68 135.58 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.79 -38.05 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.7 m-85 -68.44 -58.31 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.75 -179.26 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 t -98.07 67.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -115.62 153.5 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -138.01 143.77 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.4 p -143.64 -176.88 5.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.71 44.28 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -170.85 116.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -49.98 -43.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.67 96.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -53.6 -44.91 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.6 tp -54.3 -55.33 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -50.57 -52.19 41.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.49 -42.22 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -54.89 -45.08 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.0 mt -69.32 -9.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 89' ' ' LYS . 85.9 mt-10 -93.02 -34.38 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' LYS . 93.6 mtt180 -100.02 -47.56 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.425 HG21 ' CG ' ' A' ' 83' ' ' HIS . 63.9 t -61.13 -69.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.424 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 97.5 m-70 -73.1 -35.63 66.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 86' ' ' ARG . 9.1 mptt -106.0 144.56 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -171.05 157.87 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.4 tt -145.3 133.3 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -158.92 161.96 36.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -44.54 153.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.44 175.33 18.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -86.12 161.11 19.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -53.86 -55.88 22.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.2 114.14 3.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 174.83 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.5 mt -128.48 146.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.21 102.41 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 12' ' ' CYS . 22.0 m -100.81 147.31 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 11' ' ' THR . 34.4 t -95.73 129.62 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.38 33.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -130.05 -39.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.22 25.02 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.72 46.99 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 86.5 t -143.78 150.1 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 3.2 m-85 -144.24 147.02 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -96.81 18.31 14.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.477 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -147.56 155.8 42.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -78.67 -48.13 15.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 36.3 p-80 -60.64 -36.59 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.6 p -54.63 -59.72 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' HIS . 20.7 tp -60.07 -61.69 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 12.8 mm100 -36.57 -55.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.99 79.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' ARG . 7.7 t60 -63.4 -56.06 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.0 mt -38.74 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' HIS . 80.5 mtt180 -49.6 -46.39 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 32' ' ' HIS . 6.2 pt -53.28 -24.76 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 31' ' ' ILE . 88.0 m-70 -87.81 -60.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.8 p -65.12 126.87 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -112.97 138.5 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 29.8 mp0 -124.5 -51.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 26.0 mtmt -44.17 120.43 3.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 54.6 m-85 -73.22 115.45 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -112.37 148.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.3 t -82.49 123.04 79.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.36 11.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.56 -58.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 17.8 p -119.82 -174.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -84.36 31.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 2.8 t80 -90.05 136.75 32.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.463 ' HB2' ' CB ' ' A' ' 36' ' ' LYS . . . -140.76 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 p -164.6 144.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.76 -23.22 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.59 139.81 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 40.0 mttt -58.01 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.04 -49.42 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.62 -48.54 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -54.43 -38.88 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.22 -22.12 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -89.26 -38.53 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.62 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -46.12 -26.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -66.41 -45.33 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -50.47 -56.46 11.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.0 t -74.93 136.14 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 137.87 -129.26 4.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -146.32 163.41 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -119.7 135.42 54.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.94 116.68 32.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.01 134.34 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.63 142.22 57.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.48 -41.56 46.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 60.3 m-85 -68.53 -52.19 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.6 p -117.86 -178.85 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.7 p -100.78 67.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -116.37 122.21 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -105.35 138.28 41.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.5 p -141.57 170.99 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.02 41.72 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -47.25 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -38.5 95.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -56.01 -39.97 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.68 -55.58 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -49.33 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.94 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -56.07 -38.69 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.33 -22.01 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -98.89 -41.86 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.06 -64.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.411 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.9 m-70 -72.2 -31.61 66.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.51 166.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -116.66 151.41 36.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.8 pt -86.4 134.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -170.66 175.27 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -157.99 178.76 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 161.54 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -153.93 179.06 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.87 169.06 25.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.79 -168.47 12.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -152.47 134.17 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.6 mt -102.68 140.04 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.475 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 55.3 m-85 -109.48 98.71 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -96.14 142.52 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -88.85 124.22 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.437 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -88.38 32.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 13' ' ' GLU . 30.5 m-85 -128.87 -43.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.74 21.36 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 46.09 52.07 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -106.13 172.49 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.88 127.8 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 28' ' ' HIS . 56.5 m-85 -124.69 119.96 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -65.11 -38.82 91.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -94.94 153.65 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 9.8 ttmt -69.3 -62.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -48.51 -43.78 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -46.44 -41.39 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 19' ' ' PHE . 20.9 tp -76.37 -55.49 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 22' ' ' LYS . 6.9 mp0 -46.47 -50.79 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 -20.25 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 t60 -82.54 -45.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -49.36 -19.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -49.51 -50.67 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 32' ' ' HIS . 9.8 pt -53.4 -24.2 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.41 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 -90.75 -52.91 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.5 p -102.1 89.91 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -113.52 112.48 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -106.68 -36.32 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 29.6 mttt -45.5 129.9 6.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 37.5 m-85 -71.08 102.8 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -104.4 144.53 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -73.12 128.34 87.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.743 2.295 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -112.05 -67.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.56 -174.51 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -83.93 28.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 3.2 t80 -85.34 125.72 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -136.89 165.15 26.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 117.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.71 -23.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.04 138.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 17.8 mmtt -67.47 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' LYS . . . -37.47 -50.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -46.64 -45.44 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.1 tp -68.09 -53.25 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -45.12 -48.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.66 -37.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -58.9 -49.36 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -48.54 -33.96 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -73.82 -26.15 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -72.7 -21.48 61.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -65.22 93.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.9 p -150.17 143.99 25.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -119.29 -117.06 2.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -100.76 124.39 46.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -82.28 159.81 23.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.7 109.12 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.58 145.5 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.2 t -77.54 141.06 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.06 -44.92 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.403 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 55.6 m-85 -66.51 -59.1 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -114.02 -176.15 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 m -99.85 72.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -119.27 130.48 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -117.63 141.03 48.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.9 t -137.96 167.34 21.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -79.3 -41.96 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.6 m -102.19 170.15 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLY . 29.2 tttm -86.82 -54.78 4.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -38.5 -50.9 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.456 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -48.04 -49.1 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -53.98 -56.04 21.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -54.32 -44.6 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.41 -30.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.4 t60 -70.56 -36.28 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -77.61 -30.68 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 5.5 mm-40 -84.37 -19.8 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -100.43 -46.57 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' A' ' 89' ' ' LYS . 29.6 t -81.38 -60.84 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.403 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 85.8 m-70 -77.67 14.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 19.6 mmtp -154.06 155.51 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -47.49 149.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.4 mt -95.09 95.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -133.26 167.81 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -128.68 -55.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.87 -158.13 19.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -172.89 173.04 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -159.83 158.98 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.6 135.23 3.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.59 -177.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -139.44 143.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -110.58 112.74 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -109.05 125.56 52.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 t -69.06 127.02 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.28 27.13 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 38.8 m-85 -122.32 -38.24 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.28 21.51 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 29.4 t30 47.3 48.96 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -104.66 170.26 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -134.82 134.3 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -130.37 126.54 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -57.41 -49.13 77.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 87.2 m-85 -98.08 156.17 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -74.5 -49.83 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 27.3 p80 -50.85 -46.29 60.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 m -52.6 -45.11 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -67.98 -51.04 51.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -41.87 -61.0 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.68 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CE1' HD13 ' A' ' 31' ' ' ILE . 6.4 t60 -60.81 -48.17 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -42.58 -23.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' HIS . 58.3 mtp180 -53.36 -47.07 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.513 HD13 ' CE1' ' A' ' 28' ' ' HIS . 5.3 pt -45.72 -22.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' N ' HG13 ' A' ' 31' ' ' ILE . 83.2 m-70 -94.5 -62.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -102.49 132.01 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 72.38 50.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -91.44 164.14 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 21.2 mttm -75.82 150.16 83.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CD1' ' HD2' ' A' ' 50' ' ' LYS . 67.4 m-85 -82.61 124.19 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.35 145.26 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.82 120.72 82.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -3.27 11.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -105.24 -46.73 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.0 p -134.16 -174.8 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -68.67 -22.62 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 21.3 t80 -38.64 134.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -140.78 154.9 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.2 m -143.55 154.25 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -34.71 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mt -94.78 149.45 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HD2' ' CD1' ' A' ' 38' ' ' TYR . 13.7 tptm -68.63 -53.58 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -54.21 -56.02 22.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 47.8 t-20 -34.9 -52.26 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.98 -54.91 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -38.67 -40.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.6 -53.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -47.14 -43.03 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.4 mt -50.11 -31.59 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -55.98 -36.72 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -78.1 55.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.3 p -123.98 -43.54 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.97 -112.49 0.59 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -154.96 143.92 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -124.38 165.53 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -118.46 123.18 44.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.62 151.95 18.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.9 t -82.64 141.61 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -72.46 -47.42 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -65.14 -59.64 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.19 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 34.26 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.75 155.61 26.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.1 p -140.77 146.71 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.4 t -144.97 145.39 31.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 75' ' ' LEU . 4.1 mm? -62.96 -38.68 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.0 p -103.48 154.44 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -80.15 -52.71 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.92 -35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -70.37 -36.95 74.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.81 -40.62 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -64.13 -58.84 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.87 -30.87 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -63.8 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 63.1 mt -73.74 -20.94 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 62.1 mt-10 -93.93 -22.42 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 mtt-85 -101.58 -24.33 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' ND1' ' A' ' 83' ' ' HIS . 42.6 t -102.41 -64.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 84' ' ' ILE . 90.5 m-70 -70.69 -9.88 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 35.5 mmtt -134.96 72.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -82.34 43.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.54 80.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -138.34 123.32 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -150.27 106.08 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.24 47.54 0.98 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 90.46 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -174.86 163.78 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.91 -174.24 16.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -118.87 -178.69 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' CG2' HG22 ' A' ' 18' ' ' VAL . 59.0 mt -138.1 137.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.05 90.0 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 95.3 m -104.29 106.15 16.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' LYS . 8.0 t -51.39 134.15 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -97.42 33.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.34 -50.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -109.78 5.7 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 63.17 34.17 13.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' CYS . 33.3 mttt -98.94 161.61 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG21 ' N ' ' A' ' 19' ' ' PHE . 5.5 p -141.59 139.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 1.4 m-85 -125.69 132.27 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.96 -28.04 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.95 158.12 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -81.89 -49.05 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -52.35 -38.4 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -56.98 -60.9 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' HIS . 4.2 tp -57.46 -53.19 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -40.36 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.04 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 26.5 t60 -67.65 -54.14 22.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.43 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mtt-85 -50.47 -51.09 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.9 pt -53.53 -24.62 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 -89.72 -47.13 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.4 p -89.43 49.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -128.45 88.49 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -121.58 41.6 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 28.1 mttt -130.95 98.06 19.66 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.75 -48.84 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.47 113.25 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -111.97 149.44 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -82.17 126.3 74.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.75 14.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 60' ' ' HIS . 10.0 mt-30 -107.28 -62.44 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 p -112.5 -177.35 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -83.64 35.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 4.1 t80 -89.2 123.5 33.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.22 154.54 46.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -163.51 159.61 22.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.55 36.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 mt -148.51 137.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -81.82 -40.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -54.33 48.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -52.56 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.61 -56.09 17.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -42.69 -51.25 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' HIS . 57.5 t -64.04 -62.04 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 32.0 t60 -35.28 -47.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.7 mt -46.07 -46.68 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 59' ' ' LYS . 5.7 ptm180 -43.68 -42.92 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 58' ' ' ARG . 42.6 mtmt -49.91 -39.43 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 42' ' ' GLN . 64.5 m-70 -61.57 95.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -136.23 113.11 10.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.41 58.22 3.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -109.22 116.71 32.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -59.24 133.79 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 43.7 m-85 -89.8 112.97 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.52 134.59 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.9 149.77 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.31 -41.25 15.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 9.5 m-85 -71.97 -48.22 46.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.3 p -116.17 -178.63 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -83.08 154.88 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -144.04 144.3 31.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.2 p -139.84 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 HD21 ' N ' ' A' ' 75' ' ' LEU . 4.4 mm? -92.5 -42.15 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -110.41 134.34 52.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 26.3 pttt -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.56 -45.24 8.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.4 -48.73 78.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.02 -50.8 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -50.65 -55.3 17.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.0 t -55.16 -43.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.16 -36.47 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.8 mt -78.06 -37.7 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mt-10 -74.3 -20.36 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.466 ' CZ ' HD13 ' A' ' 91' ' ' ILE . 20.9 mmt180 -100.01 -52.12 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.0 -58.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 69' ' ' TYR . 91.1 m-70 -78.57 15.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 39.1 mmtt -155.04 177.69 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -138.12 106.35 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.466 HD13 ' CZ ' ' A' ' 86' ' ' ARG . 20.1 pt -91.4 17.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -161.66 137.35 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.809 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -134.17 137.06 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.02 77.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -101.33 127.44 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -40.47 159.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.95 47.86 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -163.12 139.88 7.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.2 146.27 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 67.3 m-85 -111.74 94.47 4.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -98.85 114.25 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.98 131.05 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.12 20.05 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CB ' ' CE1' ' A' ' 32' ' ' HIS . 20.3 m-85 -116.94 -43.48 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' ASN . 27.1 p -127.01 33.61 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' CYS . 22.8 t-20 35.11 48.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 19.8 mtpt -105.28 167.02 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 62.9 t -134.73 149.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 35.6 m-85 -144.41 123.94 13.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -61.71 -38.82 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 83.9 m-85 -98.17 140.14 32.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 86.1 tttt -62.95 -51.7 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 24' ' ' SER . 36.5 p-80 -52.72 -46.09 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.1 t -45.5 -54.11 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.93 -54.65 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -41.66 -56.52 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.26 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' CE1' HD12 ' A' ' 31' ' ' ILE . 8.1 t60 -70.27 -42.08 72.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -50.68 -17.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 32' ' ' HIS . 11.9 pt -56.2 -27.16 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 31' ' ' ILE . 97.3 m-70 -88.18 -61.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.2 76.63 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -97.39 151.75 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -124.78 16.84 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -104.23 94.52 6.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.943 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.3 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 78.0 m-85 -65.29 111.76 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -99.65 150.35 22.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.9 t -84.94 134.86 40.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.73 21.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -77.68 -63.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 22.1 p -114.19 -175.42 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.8 m -85.01 28.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' CYS . 20.7 t80 -81.15 126.11 31.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . . . -128.74 144.8 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 m -138.12 172.81 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.69 -50.01 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.9 mm -72.12 139.63 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -63.16 -36.8 84.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.98 47.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -42.43 -46.07 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.13 -45.85 92.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -56.37 -47.65 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.6 -30.96 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -71.33 -50.12 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.37 -38.35 12.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -48.23 -42.46 30.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -52.4 -42.22 63.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.6 87.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -111.29 -29.22 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.43 145.87 9.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.8 111.0 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -51.68 107.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.11 108.61 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.75 128.77 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.4 t -57.84 143.81 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -84.3 -36.01 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -71.81 -48.62 45.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -126.98 177.86 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -90.12 56.05 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -110.35 112.79 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -93.3 126.99 38.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.5 t -120.56 138.04 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.79 -23.15 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 p -113.81 111.37 21.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -53.64 -27.89 29.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.63 -52.13 45.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -60.89 -41.73 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.67 -28.99 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -68.33 -52.56 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -66.61 -25.33 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -64.24 -39.9 94.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.5 mt -77.07 -25.6 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.2 mm-40 -83.13 -25.59 31.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LYS . 10.9 mmm180 -99.91 -49.11 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.7 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.462 ' CE1' ' CB ' ' A' ' 69' ' ' TYR . 97.7 m-70 -79.27 16.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.3 mmtm -155.37 168.59 26.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.06 77.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.444 ' O ' ' CG2' ' A' ' 91' ' ' ILE . 11.1 tt -78.33 51.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -143.97 114.38 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -69.07 -46.09 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 144.73 14.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -134.87 145.74 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -121.16 173.07 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.31 25.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 14.6 ttpt -154.32 149.13 26.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.37 139.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.442 ' CE1' ' HE2' ' A' ' 8' ' ' LYS . 79.5 m-85 -124.74 107.74 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -92.34 127.21 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -72.6 126.9 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -89.21 30.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.1 m-85 -127.08 -49.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -119.72 19.64 12.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.67 42.53 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -98.24 179.14 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -140.47 144.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -137.83 152.0 48.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -88.38 -40.68 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 70.8 m-85 -99.65 150.14 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -54.49 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 12.4 p-80 -53.54 -37.18 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -53.76 -42.79 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.3 -52.84 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -45.06 -45.16 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -69.72 -42.56 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.409 HD22 ' CE1' ' A' ' 14' ' ' TYR . 98.0 mt -47.97 -19.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -52.76 -47.77 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 pt -66.61 -21.3 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 60.6 m-70 -89.63 48.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 p -141.72 142.44 33.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -56.58 90.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -145.62 175.12 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -53.41 114.55 6.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 87.1 m-85 -70.23 109.35 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.69 150.24 24.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . 45.1 t -84.54 133.91 43.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -39.31 6.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.396 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' OE1' ' SG ' ' A' ' 40' ' ' CYS . 20.6 mp0 -73.64 -57.67 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 20.8 p -117.64 -175.67 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 p -86.03 25.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.602 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 11.1 t80 -76.17 132.46 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.0 150.64 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 p -150.13 125.89 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 -39.4 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -87.2 133.9 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 15.7 mtpt -61.87 -61.58 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.88 -44.87 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -52.04 -46.44 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 tp -58.84 -53.55 57.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -45.38 -54.43 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 21.7 t -55.13 -29.01 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 36.5 t60 -81.46 -39.02 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.85 -53.3 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 55' ' ' VAL . 14.2 ptp180 -43.34 -29.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -62.37 -43.88 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -62.16 86.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t -173.11 164.74 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.02 -43.94 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -106.81 110.69 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -114.66 147.46 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 82.9 m-85 -111.71 128.2 56.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 149.99 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 t -81.64 141.79 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -34.44 41.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 83.7 m-85 -77.06 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.35 -177.15 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.9 p -93.13 32.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.437 ' CD2' ' CG ' ' A' ' 83' ' ' HIS . 28.4 t80 -77.03 140.63 40.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.4 p -134.86 135.94 42.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.0 t -137.84 161.78 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.4 41.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 79' ' ' HIS . 4.2 t -168.07 121.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 20.5 pttp -55.05 -38.57 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.24 39.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.447 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 19.4 m-70 -51.82 -42.85 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 65' ' ' PHE . 34.0 tp -56.26 -51.44 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -56.58 -50.83 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CG ' ' CD2' ' A' ' 72' ' ' PHE . 3.6 t60 -53.34 -35.84 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.4 mt -77.57 -37.77 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 28.9 mt-10 -74.7 -20.82 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -99.82 -51.79 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 38.9 t -78.32 -57.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 87.4 m-70 -79.09 16.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 18.3 mmtt -155.53 168.09 28.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -52.03 143.01 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.02 101.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -156.62 156.59 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 p -130.26 165.41 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.813 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.74 -58.7 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m 56.66 42.46 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -119.72 97.34 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.83 -84.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -112.0 178.44 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.67 134.04 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -95.23 97.86 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 m -105.93 125.39 50.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.51 114.88 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.31 -20.63 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 13.6 m-85 -71.17 -59.83 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASN . 26.2 p -109.26 30.33 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.6 m-20 33.61 46.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -99.43 174.45 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.48 133.68 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD1' HD13 ' A' ' 25' ' ' LEU . 54.9 m-85 -127.78 129.43 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 7.9 mtpp -84.16 20.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 51.2 m-85 -152.41 136.69 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -61.88 -54.19 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 13.0 p80 -55.3 -43.24 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -51.69 -45.72 63.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' CD1' ' A' ' 19' ' ' PHE . 24.6 tp -69.86 -43.94 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -50.86 -55.72 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.71 -24.63 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -74.73 -53.09 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt -45.68 -21.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -49.76 -27.74 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 32' ' ' HIS . 8.2 pt -85.52 -25.73 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' ILE . 98.9 m-70 -95.55 26.02 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.1 p -115.42 45.37 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -133.78 116.99 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 1.2 pm0 -163.78 121.63 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 35' ' ' GLU . 2.9 mppt? -149.24 133.46 8.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.79 -51.26 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 26.9 m-85 -69.18 128.93 38.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -126.64 140.05 52.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.28 123.66 88.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 6.05 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.495 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 3.7 mm-40 -117.05 -66.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.5 p -110.26 -174.6 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -83.82 32.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.753 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 5.3 t80 -90.98 118.55 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.06 156.1 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -154.93 145.35 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -79.88 42.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 48' ' ' ALA . 5.1 mt -152.71 172.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -103.46 -47.3 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.39 -57.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -41.42 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.2 tp -53.51 -57.12 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.12 -39.56 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -72.35 -55.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.753 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 10.2 t60 -41.47 -41.13 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.77 -40.8 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -32.37 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 86.5 mttt -60.31 -39.29 86.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 42' ' ' GLN . 48.7 m-70 -54.32 -52.31 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 t -76.86 47.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.55 -175.74 26.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -85.83 117.66 24.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -124.58 157.38 35.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -105.39 112.77 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 134.99 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.47 140.82 46.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.86 -42.94 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 70.4 m-85 -68.16 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.1 p -110.49 -177.02 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 t -99.05 65.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 74' ' ' CYS . 35.2 t80 -110.13 129.59 55.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 p -119.97 128.77 53.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t -136.31 172.64 12.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 59' ' ' LYS . 4.4 mp -113.68 47.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -168.84 110.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -48.57 -36.63 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.54 92.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.83 -32.81 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -66.46 -35.71 80.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -70.32 -63.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 83' ' ' HIS . 14.5 p -49.94 -23.41 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' N ' HG12 ' A' ' 82' ' ' VAL . 13.6 t60 -74.07 -43.56 57.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.57 -21.88 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 35.0 mm-40 -92.83 -23.07 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -99.68 -50.56 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' A' ' 89' ' ' LYS . 55.1 t -79.36 -60.0 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.401 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.5 m-70 -76.73 13.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 24.4 mmtm -153.35 138.69 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -134.44 78.94 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.7 pt -88.66 131.32 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -171.48 112.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -125.56 146.26 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.88 168.6 39.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -161.94 155.72 21.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -158.54 175.93 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.94 143.84 11.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -119.54 136.26 54.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 mt -107.43 143.36 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -108.2 106.33 16.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.2 m -107.31 126.69 52.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.16 132.28 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -95.38 30.49 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 18.4 m-85 -126.47 -46.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -123.15 21.5 9.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 48.18 46.36 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -99.28 171.45 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 58.2 t -143.67 139.24 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -135.45 144.25 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -69.44 -53.8 17.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 96.8 m-85 -91.61 158.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -75.99 -36.62 59.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 34.4 p80 -56.7 -48.84 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 13.1 p -48.22 -52.48 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 19' ' ' PHE . 11.5 tp -66.42 -46.39 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -49.98 -44.48 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.97 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -89.52 -36.53 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.29 -18.35 36.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -48.3 -50.28 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 32' ' ' HIS . 15.7 pt -60.89 -33.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 77.0 m-70 -79.07 9.45 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 p -130.87 157.35 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -58.18 116.61 3.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -39.93 155.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -43.66 127.69 3.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -44.73 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.716 2.277 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 19.7 m-85 -83.02 127.51 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -121.15 145.07 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -78.34 133.75 63.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.65 24.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' OE1' ' CG ' ' A' ' 60' ' ' HIS . 36.7 mt-30 -79.45 -60.08 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.37 -174.88 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.0 m -84.38 23.22 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -76.16 115.35 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.94 139.3 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -127.7 152.14 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.06 -11.77 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.9 mm -122.22 133.9 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 4.9 mmtp -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.0 89.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -42.58 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -55.51 -40.7 72.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.51 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -55.92 -47.87 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.1 mt -48.13 -47.82 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -48.45 -28.26 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.26 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CG ' ' OE1' ' A' ' 42' ' ' GLN . 22.2 m-70 -42.15 -46.69 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' HIS . 38.2 p -36.22 -40.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.74 177.88 17.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.46 148.17 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -125.7 143.46 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -117.24 111.09 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.88 136.16 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.8 t -64.96 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.25 -23.45 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -87.43 -52.19 5.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -118.42 -177.45 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -93.75 34.4 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -80.45 123.93 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -112.82 136.38 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.94 173.67 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 75' ' ' LEU . 4.1 mm? -116.24 36.64 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.4 p -170.78 116.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -43.62 -52.1 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.91 -63.79 1.87 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -43.07 -50.42 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 tp -53.94 -51.3 64.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -57.18 -59.17 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 -26.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -66.36 -36.01 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -77.48 -29.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.435 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.6 mm-40 -81.82 -21.86 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -99.93 -47.21 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 89' ' ' LYS . 52.3 t -77.87 -63.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -78.97 18.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 10.4 mmtp -155.49 168.76 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 tttp 63.05 26.08 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.9 mm -118.17 132.27 68.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -54.45 174.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -109.17 -51.75 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.3 -165.48 34.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -146.52 165.92 28.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -162.23 164.06 27.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.29 122.31 6.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -54.38 -176.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 10' ' ' PHE . 72.5 mt -130.96 142.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' N ' HG21 ' A' ' 9' ' ' ILE . 55.3 m-85 -109.83 108.41 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 17' ' ' LYS . 91.4 m -108.1 125.28 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.97 132.97 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -96.64 32.25 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -130.44 -35.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -130.55 11.35 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 23.5 t30 54.42 47.39 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 11' ' ' THR . 28.0 mttp -102.36 -177.76 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.88 145.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -141.25 130.77 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.59 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 39.2 m-85 -105.16 154.8 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -75.78 -51.07 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 43.3 p-80 -48.28 -43.43 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -52.76 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.03 -41.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 44.3 mt-30 -57.26 -50.22 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' C ' ' HD3' ' A' ' 30' ' ' ARG . . . -69.49 -20.55 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.2 t60 -78.98 -53.34 7.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' HIS . 26.1 mt -37.42 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' HIS . 1.5 mpt_? -52.12 -55.24 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' CE1' ' A' ' 28' ' ' HIS . 5.0 pt -47.31 -23.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.439 ' N ' HG13 ' A' ' 31' ' ' ILE . 74.1 m-70 -89.83 -56.73 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 p -70.07 177.85 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.13 84.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -49.72 152.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.85 137.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 49.0 m-85 -69.9 129.42 39.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.57 148.39 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' TYR . 49.0 t -75.96 128.76 82.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.66 8.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -110.59 -61.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.5 p -114.53 -176.1 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -83.53 37.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' CYS . 8.7 t80 -93.65 115.62 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.18 38.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -138.97 153.27 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.45 -27.6 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 mm -106.38 126.09 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 5.9 mmmt -49.68 -41.82 44.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.71 94.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.28 -39.85 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.31 -36.41 76.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -64.98 -27.55 68.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -79.57 -33.96 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -67.56 -42.49 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -54.24 -37.28 64.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -55.21 -19.74 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -74.17 -45.6 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -53.55 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 t -57.24 143.22 40.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.88 -160.41 21.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' PHE . 9.1 pt-20 -122.47 -178.7 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.961 0.41 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD2' ' CG2' ' A' ' 73' ' ' THR . 7.8 ttpp -84.3 130.02 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 63' ' ' GLU . 12.9 m-85 -116.23 119.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.85 34.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.78 138.92 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.09 -36.9 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.7 m-85 -75.28 -59.64 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 p -108.54 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -98.32 31.94 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -78.24 139.98 38.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 64' ' ' LYS . 2.4 p -132.65 143.15 49.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 t -145.04 147.69 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.88 -6.31 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -125.78 127.92 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 13.0 ptmt -68.72 -36.86 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.32 -39.7 83.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -72.56 -36.34 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.31 -35.48 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -56.2 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.0 -38.22 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -51.71 -40.81 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.78 -19.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 89' ' ' LYS . 19.8 mt-10 -93.21 -22.93 18.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -100.55 -47.57 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.2 -62.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 83.9 m-70 -71.63 -35.51 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -112.59 155.52 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -128.52 144.47 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 tt -116.74 149.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -162.42 157.61 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.881 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -159.16 173.2 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.61 169.11 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -146.33 177.66 8.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -166.53 177.67 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.34 -155.81 27.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -124.35 150.13 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' CG2' HG12 ' A' ' 18' ' ' VAL . 23.2 mt -109.18 141.3 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' CE1' ' HE2' ' A' ' 22' ' ' LYS . 73.1 m-85 -114.45 94.42 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -84.62 144.33 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.6 t -91.1 124.5 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -88.1 34.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.66 -42.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -130.48 27.8 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 41.28 45.26 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' C ' HG22 ' A' ' 18' ' ' VAL . 20.7 mtpt -100.02 176.59 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG12 ' CG2' ' A' ' 9' ' ' ILE . 57.8 t -139.22 128.76 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -124.73 115.71 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.52 -13.94 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 87.8 m-85 -118.87 145.03 46.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 11.3 tppt? -71.32 -52.79 16.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -53.48 -43.62 68.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.56 -48.0 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -47.2 -61.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.08 -40.48 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' LEU . 17.9 t60 -60.8 -54.69 42.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' HIS . 24.6 mt -34.83 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -45.66 -49.05 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.69 -34.69 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -73.86 -52.56 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 121.66 31.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -172.49 -179.53 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -137.08 137.26 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -138.21 113.24 8.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 29.4 m-85 -71.49 101.66 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.76 132.12 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.2 t -65.09 122.79 81.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.28 5.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.48 -57.13 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 19.3 p -120.74 -175.73 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 m -83.89 33.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 8.1 t80 -92.9 116.17 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.12 146.08 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -145.23 161.7 38.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.9 -20.29 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.15 126.73 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 6.2 mmtp -56.34 -52.1 65.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.0 -52.85 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -47.1 -45.59 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 57' ' ' LEU . 9.7 tt -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -53.11 -43.54 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.3 -36.24 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.28 -54.86 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 53' ' ' LEU . 19.7 mt -39.34 -37.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -44.45 -51.89 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' THR . 66.6 mttt -46.75 -49.65 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -52.71 86.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' LYS . 34.4 p -114.23 171.67 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 80.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -141.25 165.0 28.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -99.11 154.09 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -111.89 109.48 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.82 127.28 38.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.69 141.99 24.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.42 -40.66 50.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 50.5 m-85 -68.78 -58.08 4.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -113.66 -176.4 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -100.67 70.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 42.0 t80 -120.42 119.06 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -103.04 135.73 44.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.1 t -136.67 171.4 14.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.77 43.63 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -167.44 151.96 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -81.15 -50.51 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.31 -43.77 98.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -52.24 -42.25 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.6 tp -59.67 -55.22 37.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -52.51 -51.33 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.31 -41.48 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.58 -41.96 86.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.6 mt -71.54 -22.91 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.14 -21.47 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.69 -23.76 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.7 t -102.61 -64.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 89.7 m-70 -71.43 -11.45 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 45.11 2.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -76.09 -23.06 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 mm -53.79 124.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -149.12 154.39 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -125.28 -60.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.61 175.02 33.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -159.18 137.39 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -100.73 81.74 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 161.66 23.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.96 179.21 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.4 mt -138.17 139.84 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.49 95.97 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -94.9 100.7 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LYS . 5.8 t -42.15 115.17 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -86.2 32.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CE1' HD21 ' A' ' 29' ' ' LEU . 83.8 m-85 -127.59 -42.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -126.74 25.55 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 t-20 47.01 46.11 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' CYS . 18.4 mtpt -107.8 170.1 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -133.71 135.61 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CD1' HD13 ' A' ' 25' ' ' LEU . 44.5 m-85 -130.26 132.24 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 21' ' ' PHE . 22.4 ttpt -73.07 -35.25 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 3.2 m-85 -103.39 138.61 39.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -64.08 -52.21 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 7.1 p-80 -53.29 -45.13 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' N ' ' CD2' ' A' ' 23' ' ' HIS . 3.3 m -50.72 -39.43 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 19' ' ' PHE . 11.2 tp -75.47 -40.79 56.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -52.29 -45.29 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -76.89 -13.2 60.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t60 -93.0 -15.81 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD21 ' CE1' ' A' ' 14' ' ' TYR . 39.3 mt -81.67 -34.28 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.36 -32.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 32' ' ' HIS . 2.2 pt -70.3 -38.47 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.2 m-70 -74.55 -61.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.64 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -168.6 149.09 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -132.51 -42.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -142.78 153.33 61.1 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 -38.44 7.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 83.2 m-85 -84.33 118.71 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -115.47 148.35 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.7 t -84.8 121.87 74.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.09 4.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -108.82 -54.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.21 -174.59 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -82.4 38.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 7.8 t80 -95.09 128.48 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.39 141.54 35.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.2 m -142.57 127.23 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' O ' ' CD1' ' A' ' 38' ' ' TYR . . . -44.09 -48.08 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -88.14 134.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -65.92 -43.9 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.98 -55.21 7.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -53.66 -52.7 59.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.5 -50.16 68.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -45.9 -43.12 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.98 -36.05 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 28.7 t60 -60.44 -42.58 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.9 mt -52.67 -44.43 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -39.97 13.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -54.26 -39.72 67.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -62.3 83.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.3 p -126.24 174.51 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.6 -116.87 1.87 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -124.82 128.91 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.958 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -99.72 155.23 17.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.03 105.44 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.18 130.86 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.2 t -57.99 134.23 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.49 -32.01 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 37.5 m-85 -84.99 -67.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -97.53 -176.75 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.0 t -97.33 40.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 24.3 t80 -88.43 119.11 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -101.94 135.45 43.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 39.9 t -131.85 157.25 44.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -78.82 -41.99 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -94.47 161.41 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -86.75 -62.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.51 -52.67 2.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -46.85 -57.24 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -42.59 -52.76 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -53.05 -52.4 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.62 -37.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.407 ' ND1' HG22 ' A' ' 87' ' ' VAL . 3.8 t60 -63.26 -38.62 91.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -75.74 -20.43 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.1 -23.77 18.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -99.7 -47.31 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.407 HG22 ' ND1' ' A' ' 83' ' ' HIS . 38.5 t -77.21 -63.06 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 84.0 m-70 -72.02 -35.88 69.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 168.91 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.12 131.63 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.406 HD11 ' C ' ' A' ' 91' ' ' ILE . 2.6 pp -112.16 151.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -175.02 159.94 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -172.82 156.37 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.6 -172.81 45.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -105.49 163.36 12.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -131.23 -64.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.52 -173.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -134.46 162.15 33.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -129.86 141.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 50.4 m-85 -103.28 100.82 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.2 m -108.03 132.26 53.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 t -77.39 149.9 35.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -100.67 -15.26 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -79.88 -52.61 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASN . 21.3 p -114.91 26.16 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 49.7 m-80 35.28 43.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -93.2 175.91 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.01 146.05 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -143.6 115.05 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -47.81 -50.47 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -95.38 159.81 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 23.2 ttpt -79.19 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -44.12 -32.17 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 m -66.67 -40.24 88.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -72.96 -43.72 61.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -51.88 -51.63 55.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -26.98 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.4 t60 -71.27 -50.91 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.3 mt -40.82 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.2 mtm180 -52.91 -47.51 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -58.48 -23.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.439 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.8 m-70 -88.57 -38.26 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.9 p -95.92 86.66 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 33.1 p-10 -166.89 170.18 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 9.8 pt-20 46.44 45.34 13.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 46' ' ' ALA . 8.0 mtmp? -128.51 109.85 19.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.74 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 28.5 m-85 -75.55 130.89 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HB1' ' A' ' 46' ' ' ALA . 44.6 mttt -131.26 149.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.8 t -101.46 114.02 65.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.15 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.394 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 4.1 mm-40 -99.78 -64.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' TYR . 26.9 p -118.34 41.95 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m 39.63 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' CYS . 5.0 t80 -78.76 118.22 20.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB1' ' CG ' ' A' ' 39' ' ' LYS . . . -119.69 147.44 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 t -148.75 149.11 30.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.419 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -78.45 44.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.437 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 2.7 mt -154.99 161.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -98.96 -46.16 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.95 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -40.09 -46.27 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.24 -56.84 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.65 -42.55 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.17 -48.05 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -51.6 -45.29 63.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.95 -47.65 64.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -45.04 -45.1 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -47.0 -34.89 6.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 42' ' ' GLN . 79.0 m-70 -69.36 94.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.4 p -133.24 104.66 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.86 -147.43 4.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -117.16 125.19 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -82.91 112.6 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 28.9 m-85 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.95 127.26 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.37 152.73 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -86.79 -43.32 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.5 m-85 -69.84 -46.42 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.0 p -117.53 177.68 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -96.83 37.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 40.1 t80 -80.05 155.45 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 p -139.28 139.66 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 28.3 p -142.95 -177.69 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mp -121.86 41.86 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -173.82 108.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 28.2 pttt -45.85 -46.91 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.42 49.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -49.96 -45.15 51.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.84 -56.43 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -43.14 -39.75 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.2 t -78.54 -42.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.8 t60 -54.49 -37.81 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -76.96 -22.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' LYS . 80.9 mt-10 -93.4 -20.77 20.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -100.35 -39.42 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG21 ' ND1' ' A' ' 83' ' ' HIS . 39.5 t -84.1 -64.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.4 m-70 -71.75 -36.76 70.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -108.9 42.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -24.35 35.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 6.8 tt -95.34 31.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -128.15 135.27 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 m -148.57 144.34 27.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.22 132.07 10.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -152.69 174.76 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -102.75 78.62 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.16 137.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.21 -175.67 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.697 0.284 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -151.86 136.24 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -100.42 115.14 29.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -108.48 121.89 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.52 120.72 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.91 30.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -124.6 -42.86 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -129.08 26.31 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 44.96 52.76 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -110.39 170.3 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -137.59 135.45 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.471 ' CD1' HD11 ' A' ' 25' ' ' LEU . 24.7 m-85 -133.74 115.77 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -54.26 -47.31 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.49 152.12 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -75.03 -52.99 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -52.48 -37.34 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -58.42 -43.7 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 19' ' ' PHE . 9.8 tp -70.37 -55.87 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -39.52 -53.79 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.504 ' CE1' HD12 ' A' ' 31' ' ' ILE . 7.9 t60 -64.59 -51.6 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.69 -25.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -49.02 -42.55 38.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.504 HD12 ' CE1' ' A' ' 28' ' ' HIS . 21.4 pt -55.27 -26.99 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -87.66 -55.74 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 p -70.51 94.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -119.46 85.89 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -118.95 -57.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -87.42 127.4 58.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 65.5 m-85 -75.6 107.03 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -109.29 141.35 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.0 t -74.59 121.69 85.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -105.9 -58.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.87 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -82.56 44.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.485 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 3.0 t80 -103.38 122.57 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 36' ' ' LYS . . . -133.51 155.33 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 p -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.63 -38.61 6.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -103.29 131.87 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HE2' ' CE1' ' A' ' 38' ' ' TYR . 8.5 ptpt -64.99 -43.2 93.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.06 -43.31 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -66.57 -38.88 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.01 -47.35 80.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -46.81 -45.07 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.62 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -61.74 -54.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.3 mt -41.82 -42.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -44.72 -44.38 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -48.35 -50.16 31.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -50.84 97.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.9 p -142.27 163.86 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.4 70.32 0.96 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -139.28 161.87 36.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -68.61 126.58 30.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -105.73 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.05 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' CYS . 13.6 t -63.15 144.08 57.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -76.68 -38.54 54.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 31.3 m-85 -75.29 -47.4 28.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 20.9 p -121.68 -177.68 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -97.55 47.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -96.11 117.28 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -100.77 133.55 45.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 30.2 t -129.92 147.53 51.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.82 -40.72 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 p -97.76 177.39 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.16 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.92 -56.98 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -48.08 -47.99 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.78 -55.29 36.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -50.55 -49.92 54.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.43 -43.27 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.43 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.5 t60 -51.23 -39.12 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 59.8 mt -75.68 -17.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 89' ' ' LYS . 45.6 mt-10 -93.2 -25.11 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -100.6 -44.13 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.43 HG21 ' ND1' ' A' ' 83' ' ' HIS . 53.8 t -77.25 -63.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 88.9 m-70 -71.12 -26.44 63.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 4.8 mtpt -129.71 177.75 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -160.89 123.09 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.49 107.31 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 63.7 m-85 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.937 0.399 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -104.73 135.16 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HG ' ' HD1' ' A' ' 14' ' ' TYR . 46.5 t -83.85 122.67 29.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 11.3 pt-20 -85.59 32.95 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.4 m-85 -126.99 -51.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -122.46 23.02 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.5 t30 47.56 44.35 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -97.68 171.81 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.53 138.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 2.1 m-85 -134.48 128.84 34.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . 90.1 m-85 -87.95 169.22 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 41.0 tttm -87.22 -53.62 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 21' ' ' PHE . 6.7 p80 -48.21 -33.26 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 10' ' ' PHE . 27.9 tp -62.66 -47.12 85.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -51.42 -61.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -56.42 -34.23 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.15 -44.86 94.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -50.49 -17.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 1.9 mmp_? -48.25 -51.47 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -64.5 -19.45 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 65.3 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.666 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.555 0.693 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -41.03 4.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 70.2 m-85 -91.65 114.0 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -111.59 149.81 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.48 133.49 38.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.92 9.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.84 -175.74 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 29.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -77.18 120.41 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -132.91 149.51 52.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -156.89 133.32 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -54.76 -31.81 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 50' ' ' LYS . 12.0 mt -72.68 159.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 49' ' ' ILE . 3.3 mptt -94.8 -50.3 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -58.73 -53.59 56.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.0 t-20 -35.71 -46.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 38' ' ' TYR . 43.9 tp -62.16 -55.2 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -44.94 -49.6 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.95 -43.79 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -55.95 -52.59 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.5 mt -45.22 -46.12 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -48.57 -34.33 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' O ' HD11 ' A' ' 75' ' ' LEU . 54.5 mttm -56.27 -35.65 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.79 0.329 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 33.8 m-85 -115.16 107.2 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.26 141.68 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.832 ' HA ' HD11 ' A' ' 80' ' ' LEU . 21.7 t -70.2 138.03 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.08 -35.49 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.44 -58.1 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -111.28 -177.22 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -95.53 39.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.22 122.55 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -106.8 137.64 44.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.75 149.83 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 59' ' ' LYS . 3.8 mm? -65.8 -40.51 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 m -99.03 172.62 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 65.3 tttt -98.17 -51.99 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.98 -38.9 25.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -60.85 -45.12 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' HA ' ' A' ' 67' ' ' CYS . 21.2 tp -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.63 -46.8 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.06 -32.34 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.64 -29.05 70.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.15 -25.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 23.3 mt-10 -88.01 -20.37 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -100.09 -44.58 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 t -81.47 -62.25 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -75.97 10.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 47.8 mmtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.943 0.401 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.2 m -86.69 137.55 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.0 t -86.04 119.1 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.93 19.0 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.702 ' CE2' HD22 ' A' ' 29' ' ' LEU . 14.0 m-85 -115.31 -37.16 4.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.52 27.02 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 39.67 50.7 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 11' ' ' THR . 28.1 mttp -105.84 170.89 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.31 128.09 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -122.21 160.76 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 42.3 tttt -102.45 -39.02 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 47.7 m-85 -98.84 145.44 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -66.16 -57.46 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -51.47 -39.43 57.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -54.14 -50.27 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.6 tp -72.73 -47.89 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -47.52 -46.04 27.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.48 -16.24 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -85.42 -42.84 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 14' ' ' TYR . 32.9 mt -54.41 -17.12 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -50.04 -44.54 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.93 -24.46 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . 92.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CZ ' ' CG ' ' A' ' 50' ' ' LYS . 42.4 m-85 -75.38 118.4 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 145.94 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.89 132.57 50.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.8 Cg_endo -69.73 -28.22 25.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -77.53 -61.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -174.99 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -83.57 21.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.9 t80 -77.68 128.44 34.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.53 151.47 51.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -139.55 167.17 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.9 -18.58 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.28 127.69 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 7.1 mtpm? -58.78 -43.05 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.83 98.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -59.75 -44.56 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.83 -33.52 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.19 -40.97 97.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.95 -39.81 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -58.1 -53.52 57.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' A' ' 41' ' ' PRO . 87.2 mt -41.73 -37.34 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.26 -44.13 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -48.31 -44.6 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.26 107.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.71 129.78 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 t -62.76 142.79 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.02 -41.04 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.6 m-85 -68.51 -47.59 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 p -126.05 -179.26 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 m -96.91 69.14 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 50.3 t80 -117.49 129.9 56.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.5 p -118.57 133.49 55.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.3 t -140.79 141.94 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.23 43.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 m -161.6 144.31 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -79.41 -50.09 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.49 94.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -54.99 -42.26 72.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.31 -57.24 13.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -49.09 -55.81 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.3 -35.32 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.16 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -89.6 -27.31 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -83.36 -22.19 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LYS . 18.1 mmt85 -99.49 -50.95 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -75.9 -61.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.1 m-70 -77.19 12.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' ARG . 32.2 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 61.2 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.6 m -91.11 121.66 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.71 124.96 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.68 27.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.529 ' CB ' ' CD2' ' A' ' 32' ' ' HIS . 4.1 m-85 -123.77 -41.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.51 30.7 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 25.2 t-20 40.31 47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 11' ' ' THR . 33.3 mttm -104.16 -179.12 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.58 145.8 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' A' ' 25' ' ' LEU . 40.1 m-85 -142.92 121.44 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -59.77 -42.17 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.46 148.93 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.47 -51.37 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -59.41 -32.56 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -58.07 -50.35 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 19' ' ' PHE . 22.6 tp -64.24 -58.4 6.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.0 mm-40 -34.86 -57.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -37.6 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.3 t60 -66.12 -51.75 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -38.12 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' HIS . 69.0 mtm180 -53.33 -48.4 68.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -44.74 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.529 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 85.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.615 0.722 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -51.4 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' HB3' HD22 ' A' ' 53' ' ' LEU . 89.3 m-85 -71.23 108.42 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -105.56 149.03 26.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -88.39 119.47 70.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -93.83 -53.18 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -128.41 -177.36 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -81.85 40.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 17.3 t80 -100.17 130.37 46.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.03 139.82 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -133.72 157.04 46.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.63 -44.63 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -86.09 141.69 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -61.77 -59.98 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.68 -54.67 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -40.35 -53.04 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 38' ' ' TYR . 19.5 tp -56.13 -51.95 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -48.47 -36.78 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.08 -28.73 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.435 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 22.1 t60 -85.26 -31.64 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.24 -46.32 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -50.8 -17.53 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -75.25 -43.19 52.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.3 mttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 63.4 m-85 -99.77 107.51 19.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.46 141.57 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.36 143.6 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -46.11 65.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -67.06 -62.82 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.8 p -104.53 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -100.89 40.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 6.8 t80 -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -107.2 139.87 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 26.4 p -144.03 167.53 22.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.49 42.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -172.44 118.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.4 tptp -55.31 -47.77 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.1 92.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -59.75 -27.04 66.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.07 -46.29 52.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.79 -52.57 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.91 -24.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.7 mt -75.72 -18.08 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -93.42 -25.35 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -98.39 -43.69 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.21 -63.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.51 2.42 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.5 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' LYS . 12.7 m -101.04 146.83 26.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -92.15 131.81 37.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.58 27.64 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 75.5 m-85 -126.34 -38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.1 26.87 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.07 46.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' THR . 28.9 mttm -100.66 176.39 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 97.0 t -139.06 148.55 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 24.8 m-85 -144.24 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -82.39 -40.92 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -100.91 145.42 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.93 -62.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 11.4 p-80 -42.75 -42.12 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -57.25 -40.8 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 10' ' ' PHE . 16.7 tp -74.04 -44.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -52.41 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -66.21 -38.39 87.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.16 -12.7 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -54.62 -43.06 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.49 -21.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.56 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.91 121.78 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.663 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 6.6 mtmp? -124.26 147.03 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.79 124.73 89.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.64 3.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -111.58 -55.2 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.79 -174.82 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -84.41 28.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 5.4 t80 -85.04 119.75 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -136.38 156.6 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 t -161.12 133.88 6.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.85 -30.77 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.44 149.41 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -79.0 -56.3 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -49.15 -56.0 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.053 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 4.8 t-20 -35.78 -51.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.87 -42.23 99.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 41.7 m-20 -62.1 -40.95 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.07 -23.29 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -80.78 -42.19 22.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.83 -47.31 74.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 64' ' ' LYS . 41.9 mtt-85 -44.85 -29.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -65.51 -46.72 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 18.5 mttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -115.94 113.5 23.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.51 150.68 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.467 ' HA ' HD11 ' A' ' 80' ' ' LEU . 53.8 t -77.23 136.44 38.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.88 -34.06 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 51.8 m-85 -77.62 -68.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.8 p -92.9 -175.16 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 m -101.38 30.29 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 49.7 t80 -73.93 156.76 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 72' ' ' PHE . 68.3 p -143.99 137.5 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 27.3 p -142.97 -177.44 5.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.98 45.44 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -167.34 130.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -57.96 -62.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.46 -49.67 38.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -48.29 -38.12 18.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 67' ' ' CYS . 48.8 tp -67.79 -41.44 83.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -63.74 -58.4 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.99 -25.41 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.68 ' CD2' HG21 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -67.94 -48.3 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 84' ' ' ILE . 60.6 mt -67.08 -15.26 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.41 -33.66 13.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -98.48 -12.98 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.68 HG21 ' CD2' ' A' ' 83' ' ' HIS . 47.7 t -102.91 -66.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 96.7 m-70 -77.75 -34.65 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' HB3' HD22 ' A' ' 25' ' ' LEU . 48.6 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -97.52 112.79 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.9 t -54.97 127.55 29.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.4 28.81 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CE1' ' CD2' ' A' ' 29' ' ' LEU . 76.9 m-85 -123.24 -45.22 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -125.61 25.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 28.0 t30 46.24 43.67 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' CYS . 23.2 mttm -101.6 165.4 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.97 139.93 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -133.85 152.39 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.4 -39.71 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 7.2 m-85 -102.43 151.39 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 3.4 p-80 -42.11 -45.91 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -51.46 -47.23 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.2 tp -69.49 -48.14 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -51.62 -53.63 36.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.29 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -75.66 -22.99 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' ' CE1' ' A' ' 14' ' ' TYR . 43.5 mt -70.61 -7.92 47.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.27 -49.56 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD12 ' CB ' ' A' ' 44' ' ' SER . 27.4 pt -61.67 -23.46 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.3 mppt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 58.6 m-85 -72.56 120.44 18.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -109.6 150.28 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.3 130.16 72.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 -3.92 12.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -108.23 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.8 p -112.73 -174.75 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.432 ' CB ' HD12 ' A' ' 31' ' ' ILE . 68.3 m -83.96 24.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 30.0 t80 -81.86 128.48 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -129.8 145.7 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -137.44 136.66 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' H ' ' A' ' 51' ' ' ALA . 21.7 mm -101.73 125.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 6.0 mtmp? -56.08 -35.27 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.51 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -65.16 -40.95 95.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -64.95 -35.6 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.1 -45.74 83.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.16 -45.23 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.76 -40.48 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.75 -49.78 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' A' ' 41' ' ' PRO . 78.8 mt -44.54 -42.94 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -45.55 -42.32 10.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -50.5 -45.85 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 27.1 m-85 -97.52 110.74 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.57 148.15 28.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.5 t -77.84 138.72 39.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.24 -44.48 65.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 59.4 m-85 -69.63 -61.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.17 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.2 m -95.6 40.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -84.91 149.17 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -131.63 138.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 75' ' ' LEU . 34.8 t -132.63 161.0 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' N ' ' SG ' ' A' ' 74' ' ' CYS . 3.9 mm? -83.03 -42.61 17.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.4 p -90.59 -179.86 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -112.61 -15.52 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.41 -29.11 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -73.3 -34.21 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 tp -61.84 -41.32 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -65.07 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.21 -24.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.95 -31.79 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 68.3 mt -79.77 -31.71 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -80.04 -21.32 43.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' LYS . 3.7 mmp_? -99.4 -48.91 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.52 -60.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 94.6 m-70 -77.85 14.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' ARG . 21.3 mttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' HB3' HD22 ' A' ' 25' ' ' LEU . 51.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.953 0.406 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 17' ' ' LYS . 11.4 m -85.45 145.41 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.82 128.16 38.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 6.2 pt-20 -92.0 34.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 16.7 m-85 -131.13 -40.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.1 p -131.28 25.63 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.48 52.18 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' THR . 34.6 mttm -108.07 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -137.31 135.13 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -134.02 115.21 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -59.48 -25.36 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 20' ' ' LYS . 87.9 m-85 -98.77 155.69 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.21 -39.75 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -65.5 -39.34 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -53.92 -58.47 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 23.4 tp -53.23 -51.78 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -54.2 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.59 61.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -79.6 -44.36 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -47.67 -23.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -50.34 -47.38 55.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' H ' HG23 ' A' ' 31' ' ' ILE . 9.4 pt -49.17 -29.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.442 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 67.5 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 mttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.545 0.688 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.96 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 68.8 m-85 -71.03 106.55 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.51 148.21 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' TYR . 48.9 t -80.08 119.29 76.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.21 5.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -109.05 -43.96 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.12 -176.42 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -81.89 43.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 7.7 t80 -100.57 122.94 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.41 151.84 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -162.17 118.87 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.56 -42.88 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.05 139.02 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -74.13 -59.44 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.56 -36.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -58.38 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.44 -42.54 43.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.54 -41.15 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.07 -18.8 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 39.4 t60 -90.52 -43.02 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -55.52 -54.8 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -40.41 -35.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -56.53 -44.88 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 80' ' ' LEU . 31.7 m-85 -66.57 123.93 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 132.4 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.02 147.55 38.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -41.33 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 78.6 m-85 -67.91 -41.04 83.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.67 -179.98 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.4 p -96.32 63.66 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 30.8 t80 -111.21 121.59 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -107.14 131.96 53.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 22.2 p -139.33 151.62 46.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.22 45.3 0.99 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 114.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -43.91 -51.86 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.81 -50.35 44.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.3 -36.51 42.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 65' ' ' PHE . 20.5 tp -70.97 -33.09 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -73.78 -52.64 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.0 -21.22 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -72.7 -40.12 66.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 88' ' ' HIS . 46.4 mt -77.1 -26.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -83.01 -24.09 33.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -99.53 -48.88 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.93 -58.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.5 m-70 -80.15 16.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.6 mmtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.897 0.379 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' LYS . 20.8 m -104.73 143.64 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 29' ' ' LEU . 11.3 t -89.84 127.07 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.08 17.68 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' HD22 ' A' ' 29' ' ' LEU . 21.8 m-85 -114.43 -38.49 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -127.49 13.44 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 m120 49.06 54.55 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 11' ' ' THR . 23.8 mttt -111.8 168.9 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 78.8 t -132.42 145.11 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 25' ' ' LEU . 12.0 m-85 -139.03 169.47 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -106.28 -40.05 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -96.21 141.02 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -63.57 -51.89 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -58.43 -43.01 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.797 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -46.4 -58.65 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.765 HD13 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -69.2 -46.51 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -45.2 -45.97 11.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -24.17 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 31' ' ' ILE . 15.9 t60 -77.53 -45.24 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 14' ' ' TYR . 71.7 mt -50.17 -17.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 13.0 mtp-105 -55.9 -48.46 75.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -58.73 -22.53 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 8.4 mptt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' HB3' HD22 ' A' ' 53' ' ' LEU . 99.0 m-85 -73.97 126.92 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -133.24 146.7 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.18 130.85 85.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 0.83 5.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -114.01 -43.02 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.99 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -76.92 47.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 4.9 t80 -95.03 120.45 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -131.88 138.24 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.2 m -129.42 -10.5 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 47' ' ' SER . . . 69.61 25.07 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 48' ' ' ALA . 20.9 mt -150.11 145.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 18.0 mttm -72.74 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.96 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.42 -56.62 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.9 tp -46.12 -51.94 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -50.98 -39.15 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.58 -33.18 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.647 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 24.1 t60 -64.91 -49.44 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD21 ' HD2' ' A' ' 41' ' ' PRO . 64.0 mt -46.7 -45.31 19.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.96 -38.36 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -52.68 -47.62 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.43 126.01 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.71 146.86 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.53 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.7 t -78.68 135.58 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.79 -38.05 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.446 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.7 m-85 -68.44 -58.31 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.75 -179.26 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 t -98.07 67.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -115.62 153.5 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -138.01 143.77 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.4 p -143.64 -176.88 5.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.71 44.28 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -170.85 116.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -49.98 -43.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.67 96.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -53.6 -44.91 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 67' ' ' CYS . 23.6 tp -54.3 -55.33 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -50.57 -52.19 41.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.49 -42.22 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 1.002 ' CD2' HG21 ' A' ' 87' ' ' VAL . 0.4 OUTLIER -54.89 -45.08 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 84' ' ' ILE . 82.0 mt -69.32 -9.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 89' ' ' LYS . 85.9 mt-10 -93.02 -34.38 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' LYS . 93.6 mtt180 -100.02 -47.56 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 1.002 HG21 ' CD2' ' A' ' 83' ' ' HIS . 63.9 t -61.13 -69.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.446 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 97.5 m-70 -73.1 -35.63 66.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 86' ' ' ARG . 9.1 mptt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.0 m -100.81 147.31 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -95.73 129.62 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.38 33.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 30.2 m-85 -130.05 -39.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.22 25.02 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.72 46.99 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' THR . 18.8 mtpt -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 86.5 t -143.78 150.1 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 3.2 m-85 -144.24 147.02 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -96.81 18.31 14.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -147.56 155.8 42.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -78.67 -48.13 15.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 36.3 p-80 -60.64 -36.59 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.6 p -54.63 -59.72 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' HIS . 20.7 tp -60.07 -61.69 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 12.8 mm100 -36.57 -55.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.99 79.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' ARG . 7.7 t60 -63.4 -56.06 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.0 mt -38.74 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' HIS . 80.5 mtt180 -49.6 -46.39 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 32' ' ' HIS . 6.2 pt -53.28 -24.76 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' ILE . 88.0 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 54.6 m-85 -73.22 115.45 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -112.37 148.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.3 t -82.49 123.04 79.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.36 11.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.56 -58.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 17.8 p -119.82 -174.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -84.36 31.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.8 t80 -90.05 136.75 32.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.76 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 p -164.6 144.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.76 -23.22 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.59 139.81 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 40.0 mttt -58.01 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.04 -49.42 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.62 -48.54 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -54.43 -38.88 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.22 -22.12 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -89.26 -38.53 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.62 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -46.12 -26.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' A' ' 75' ' ' LEU . 27.9 mttt -66.41 -45.33 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.94 116.68 32.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.01 134.34 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.9 t -61.63 142.22 57.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.48 -41.56 46.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 60.3 m-85 -68.53 -52.19 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.6 p -117.86 -178.85 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.7 p -100.78 67.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -116.37 122.21 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -105.35 138.28 41.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.5 p -141.57 170.99 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 59' ' ' LYS . 86.8 mt -113.02 41.72 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -47.25 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -38.5 95.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -56.01 -39.97 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 67' ' ' CYS . 19.7 tp -63.68 -55.58 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -49.33 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.94 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -56.07 -38.69 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 12.1 mm-40 -93.33 -22.01 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -98.89 -41.86 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.06 -64.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.9 m-70 -72.2 -31.61 66.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 55.3 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.9 m -96.14 142.52 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -88.85 124.22 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -88.38 32.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 13' ' ' GLU . 30.5 m-85 -128.87 -43.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.74 21.36 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 46.09 52.07 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 11' ' ' THR . 27.1 mttt -106.13 172.49 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.88 127.8 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 28' ' ' HIS . 56.5 m-85 -124.69 119.96 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -65.11 -38.82 91.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -94.94 153.65 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 9.8 ttmt -69.3 -62.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -48.51 -43.78 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -46.44 -41.39 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 10' ' ' PHE . 20.9 tp -76.37 -55.49 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 22' ' ' LYS . 6.9 mp0 -46.47 -50.79 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 -20.25 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 t60 -82.54 -45.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -49.36 -19.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -49.51 -50.67 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 32' ' ' HIS . 9.8 pt -53.4 -24.2 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 29.6 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.5 m-85 -71.08 102.8 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -104.4 144.53 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -73.12 128.34 87.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.743 2.295 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -112.05 -67.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.56 -174.51 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -83.93 28.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 t80 -85.34 125.72 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -136.89 165.15 26.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 117.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.71 -23.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.04 138.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 17.8 mmtt -67.47 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' LYS . . . -37.47 -50.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -46.64 -45.44 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 38' ' ' TYR . 22.1 tp -68.09 -53.25 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -45.12 -48.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.66 -37.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -58.9 -49.36 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -48.54 -33.96 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -73.82 -26.15 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -72.7 -21.48 61.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.7 109.12 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.58 145.5 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.663 ' HA ' HD11 ' A' ' 80' ' ' LEU . 47.2 t -77.54 141.06 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.06 -44.92 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 55.6 m-85 -66.51 -59.1 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -114.02 -176.15 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 m -99.85 72.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -119.27 130.48 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -117.63 141.03 48.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.9 t -137.96 167.34 21.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.2 mm? -79.3 -41.96 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.6 m -102.19 170.15 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLY . 29.2 tttm -86.82 -54.78 4.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -38.5 -50.9 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.456 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -48.04 -49.1 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 67' ' ' CYS . 35.7 tp -53.98 -56.04 21.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -54.32 -44.6 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.41 -30.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.4 t60 -70.56 -36.28 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -77.61 -30.68 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 5.5 mm-40 -84.37 -19.8 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -100.43 -46.57 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.38 -60.84 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 85.8 m-70 -77.67 14.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 19.6 mmtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.407 ' HB3' HD22 ' A' ' 25' ' ' LEU . 96.5 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.959 0.409 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.3 m -109.05 125.56 52.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 t -69.06 127.02 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.28 27.13 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 38.8 m-85 -122.32 -38.24 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.28 21.51 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 29.4 t30 47.3 48.96 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' HG23 ' A' ' 11' ' ' THR . 21.9 mttt -104.66 170.26 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -134.82 134.3 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 25' ' ' LEU . 34.8 m-85 -130.37 126.54 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -57.41 -49.13 77.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 87.2 m-85 -98.08 156.17 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -74.5 -49.83 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 27.3 p80 -50.85 -46.29 60.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 m -52.6 -45.11 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 10' ' ' PHE . 18.5 tp -67.98 -51.04 51.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -41.87 -61.0 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.68 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 6.4 t60 -60.81 -48.17 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -42.58 -23.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' HIS . 58.3 mtp180 -53.36 -47.07 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -45.72 -22.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 83.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 21.2 mttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.76 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' HD2' ' A' ' 50' ' ' LYS . 67.4 m-85 -82.61 124.19 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.35 145.26 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.82 120.72 82.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.1 Cg_endo -69.75 -3.27 11.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -105.24 -46.73 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.0 p -134.16 -174.8 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -68.67 -22.62 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 21.3 t80 -38.64 134.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -140.78 154.9 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.2 m -143.55 154.25 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -34.71 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mt -94.78 149.45 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' CD1' ' A' ' 38' ' ' TYR . 13.7 tptm -68.63 -53.58 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -54.21 -56.02 22.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 47.8 t-20 -34.9 -52.26 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.98 -54.91 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 57' ' ' LEU . 77.4 m-20 -38.67 -40.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.6 -53.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -47.14 -43.03 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 54' ' ' ASN . 50.4 mt -50.11 -31.59 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -55.98 -36.72 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -118.46 123.18 44.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.62 151.95 18.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HA ' HD11 ' A' ' 80' ' ' LEU . 30.9 t -82.64 141.61 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -72.46 -47.42 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -65.14 -59.64 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.19 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 34.26 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.75 155.61 26.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.1 p -140.77 146.71 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.4 t -144.97 145.39 31.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.96 -38.68 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.0 p -103.48 154.44 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -80.15 -52.71 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.92 -35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -70.37 -36.95 74.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 67' ' ' CYS . 15.2 tp -61.81 -40.62 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -64.13 -58.84 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.87 -30.87 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -63.8 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 63.1 mt -73.74 -20.94 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 62.1 mt-10 -93.93 -22.42 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 mtt-85 -101.58 -24.33 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 83' ' ' HIS . 42.6 t -102.41 -64.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 84' ' ' ILE . 90.5 m-70 -70.69 -9.88 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 35.5 mmtt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.765 ' HB3' HD22 ' A' ' 25' ' ' LEU . 98.0 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.943 0.402 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 95.3 m -104.29 106.15 16.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' LYS . 8.0 t -51.39 134.15 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -97.42 33.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.34 -50.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -109.78 5.7 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 63.17 34.17 13.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' CYS . 33.3 mttt -98.94 161.61 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 5.5 p -141.59 139.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.4 m-85 -125.69 132.27 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.96 -28.04 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.95 158.12 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -81.89 -49.05 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -52.35 -38.4 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -56.98 -60.9 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.2 tp -57.46 -53.19 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -40.36 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.04 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 26.5 t60 -67.65 -54.14 22.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.43 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mtt-85 -50.47 -51.09 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.9 pt -53.53 -24.62 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.462 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 28.1 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.75 -48.84 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.426 ' HB3' HD22 ' A' ' 53' ' ' LEU . 65.5 m-85 -69.47 113.25 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -111.97 149.44 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -82.17 126.3 74.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.77 -4.75 14.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 60' ' ' HIS . 10.0 mt-30 -107.28 -62.44 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 p -112.5 -177.35 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -83.64 35.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 4.1 t80 -89.2 123.5 33.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.22 154.54 46.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -163.51 159.61 22.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -83.55 36.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 48' ' ' ALA . 4.1 mt -148.51 137.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -81.82 -40.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -54.33 48.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -48.7 -52.56 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 38' ' ' TYR . 31.9 tp -52.61 -56.09 17.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -42.69 -51.25 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' HIS . 57.5 t -64.04 -62.04 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 32.0 t60 -35.28 -47.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.447 HD21 ' HD2' ' A' ' 41' ' ' PRO . 85.7 mt -46.07 -46.68 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 59' ' ' LYS . 5.7 ptm180 -43.68 -42.92 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HE3' ' ND1' ' A' ' 56' ' ' HIS . 42.6 mtmt -49.91 -39.43 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 42' ' ' GLN . 64.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 43.7 m-85 -89.8 112.97 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.52 134.59 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.9 149.77 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.31 -41.25 15.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 9.5 m-85 -71.97 -48.22 46.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.3 p -116.17 -178.63 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -83.08 154.88 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -144.04 144.3 31.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.2 p -139.84 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.5 -42.15 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -110.41 134.34 52.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 26.3 pttt -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.56 -45.24 8.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.4 -48.73 78.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.02 -50.8 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -50.65 -55.3 17.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 86' ' ' ARG . 94.0 t -55.16 -43.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.16 -36.47 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 88' ' ' HIS . 42.8 mt -78.06 -37.7 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mt-10 -74.3 -20.36 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HG3' HG12 ' A' ' 82' ' ' VAL . 20.9 mmt180 -100.01 -52.12 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.0 -58.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.435 ' HB2' HG23 ' A' ' 84' ' ' ILE . 91.1 m-70 -78.57 15.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 39.1 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.611 ' HB3' HD22 ' A' ' 25' ' ' LEU . 67.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -98.85 114.25 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.98 131.05 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.12 20.05 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.695 ' HE2' HD22 ' A' ' 29' ' ' LEU . 20.3 m-85 -116.94 -43.48 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' ASN . 27.1 p -127.01 33.61 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' CYS . 22.8 t-20 35.11 48.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 19.8 mtpt -105.28 167.02 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 62.9 t -134.73 149.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 35.6 m-85 -144.41 123.94 13.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -61.71 -38.82 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 83.9 m-85 -98.17 140.14 32.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 86.1 tttt -62.95 -51.7 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 24' ' ' SER . 36.5 p-80 -52.72 -46.09 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.1 t -45.5 -54.11 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -61.93 -54.65 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -41.66 -56.52 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.26 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.27 -42.08 72.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.695 HD22 ' HE2' ' A' ' 14' ' ' TYR . 96.0 mt -50.68 -17.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 32' ' ' HIS . 11.9 pt -56.2 -27.16 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.477 ' N ' HG13 ' A' ' 31' ' ' ILE . 97.3 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.595 0.712 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.3 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 78.0 m-85 -65.29 111.76 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -99.65 150.35 22.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.9 t -84.94 134.86 40.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.586 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.79 -30.73 21.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -77.68 -63.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 22.1 p -114.19 -175.42 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.8 m -85.01 28.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' CYS . 20.7 t80 -81.15 126.11 31.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.74 144.8 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 m -138.12 172.81 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.69 -50.01 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 51' ' ' ALA . 13.9 mm -72.12 139.63 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -63.16 -36.8 84.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -73.85 -45.98 47.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.671 ' C ' HD21 ' A' ' 52' ' ' ASN . 0.2 OUTLIER -42.43 -46.07 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 38' ' ' TYR . 58.2 tp -61.13 -45.85 92.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -56.37 -47.65 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.6 -30.96 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -71.33 -50.12 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.586 HD21 ' HD2' ' A' ' 41' ' ' PRO . 37.4 mt -47.37 -38.35 12.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -48.23 -42.46 30.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -52.4 -42.22 63.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.11 108.61 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.75 128.77 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.4 t -57.84 143.81 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -84.3 -36.01 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -71.81 -48.62 45.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -126.98 177.86 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -90.12 56.05 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -110.35 112.79 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -93.3 126.99 38.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.5 t -120.56 138.04 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.79 -23.15 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 p -113.81 111.37 21.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -53.64 -27.89 29.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.63 -52.13 45.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.55 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.9 t-80 -60.89 -41.73 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.67 -28.99 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -68.33 -52.56 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 79' ' ' HIS . 13.2 p -66.61 -25.33 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -64.24 -39.9 94.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 88' ' ' HIS . 72.5 mt -77.07 -25.6 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.2 mm-40 -83.13 -25.59 31.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 82' ' ' VAL . 10.9 mmm180 -99.91 -49.11 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.7 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.462 ' CE1' ' CB ' ' A' ' 69' ' ' TYR . 97.7 m-70 -79.27 16.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.3 mmtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.1 m -92.34 127.21 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -72.6 126.9 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -89.21 30.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.1 m-85 -127.08 -49.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -119.72 19.64 12.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.67 42.53 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' THR . 32.0 mttp -98.24 179.14 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -140.47 144.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -137.83 152.0 48.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -88.38 -40.68 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -99.65 150.14 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -54.49 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -53.54 -37.18 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -53.76 -42.79 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.3 -52.84 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -45.06 -45.16 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CE1' HD11 ' A' ' 31' ' ' ILE . 52.2 t60 -69.72 -42.56 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.0 mt -47.97 -19.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -52.76 -47.77 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 28' ' ' HIS . 7.1 pt -66.61 -21.3 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 60.6 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.8 mptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 87.1 m-85 -70.23 109.35 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.69 150.24 24.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . 45.1 t -84.54 133.91 43.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' ' HG ' ' A' ' 40' ' ' CYS . 54.4 Cg_endo -69.73 -39.31 6.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.396 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' OE1' ' SG ' ' A' ' 40' ' ' CYS . 20.6 mp0 -73.64 -57.67 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 20.8 p -117.64 -175.67 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 p -86.03 25.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.602 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 11.1 t80 -76.17 132.46 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -138.0 150.64 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 p -150.13 125.89 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 -39.4 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -87.2 133.9 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 15.7 mtpt -61.87 -61.58 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.88 -44.87 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.04 -46.44 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.4 tp -58.84 -53.55 57.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -45.38 -54.43 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 21.7 t -55.13 -29.01 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 36.5 t60 -81.46 -39.02 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.85 -53.3 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 55' ' ' VAL . 14.2 ptp180 -43.34 -29.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -62.37 -43.88 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.671 ' HB3' HD22 ' A' ' 80' ' ' LEU . 82.9 m-85 -111.71 128.2 56.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 149.99 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 80' ' ' LEU . 38.3 t -81.64 141.79 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -34.44 41.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 83.7 m-85 -77.06 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.35 -177.15 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.9 p -93.13 32.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.437 ' CD2' ' CG ' ' A' ' 83' ' ' HIS . 28.4 t80 -77.03 140.63 40.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.4 p -134.86 135.94 42.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.0 t -137.84 161.78 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.4 41.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -168.07 121.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 20.5 pttp -55.05 -38.57 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.24 39.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.82 -42.85 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 65' ' ' PHE . 34.0 tp -56.26 -51.44 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -56.58 -50.83 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 86' ' ' ARG . 96.9 t -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CG ' ' CD2' ' A' ' 72' ' ' PHE . 3.6 t60 -53.34 -35.84 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 88' ' ' HIS . 57.4 mt -77.57 -37.77 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 28.9 mt-10 -74.7 -20.82 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.599 ' HG3' HG12 ' A' ' 82' ' ' VAL . 12.8 mmt85 -99.82 -51.79 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 38.9 t -78.32 -57.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 87.4 m-70 -79.09 16.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 18.3 mmtt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.626 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.918 0.39 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' LYS . 72.7 m -105.93 125.39 50.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.51 114.88 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.31 -20.63 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.401 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 13.6 m-85 -71.17 -59.83 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASN . 26.2 p -109.26 30.33 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.6 m-20 33.61 46.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 mtpp -99.43 174.45 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.48 133.68 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -127.78 129.43 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 7.9 mtpp -84.16 20.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 51.2 m-85 -152.41 136.69 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -61.88 -54.19 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 13.0 p80 -55.3 -43.24 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -51.69 -45.72 63.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 10' ' ' PHE . 24.6 tp -69.86 -43.94 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -50.86 -55.72 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.71 -24.63 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -74.73 -53.09 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt -45.68 -21.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -49.76 -27.74 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 32' ' ' HIS . 8.2 pt -85.52 -25.73 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 31' ' ' ILE . 98.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.79 -51.26 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 26.9 m-85 -69.18 128.93 38.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -126.64 140.05 52.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.28 123.66 88.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.75 6.05 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 11.4 mm100 -117.05 -66.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.5 p -110.26 -174.6 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -83.82 32.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.753 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 5.3 t80 -90.98 118.55 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.06 156.1 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -154.93 145.35 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -79.88 42.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' LYS . 5.1 mt -152.71 172.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' ILE . 13.0 mttp -103.46 -47.3 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.39 -57.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -41.42 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 38' ' ' TYR . 55.2 tp -53.51 -57.12 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.12 -39.56 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -72.35 -55.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.753 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 10.2 t60 -41.47 -41.13 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 41' ' ' PRO . 70.2 mt -51.77 -40.8 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -32.37 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HB3' HD11 ' A' ' 75' ' ' LEU . 86.5 mttt -60.31 -39.29 86.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 42' ' ' GLN . 48.7 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -105.39 112.77 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 134.99 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.47 140.82 46.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.86 -42.94 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.423 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 70.4 m-85 -68.16 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.1 p -110.49 -177.02 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 t -99.05 65.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 74' ' ' CYS . 35.2 t80 -110.13 129.59 55.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 p -119.97 128.77 53.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t -136.31 172.64 12.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 59' ' ' LYS . 4.4 mp -113.68 47.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -168.84 110.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -48.57 -36.63 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.54 92.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.83 -32.81 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -66.46 -35.71 80.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -70.32 -63.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 86' ' ' ARG . 14.5 p -49.94 -23.41 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -74.07 -43.56 57.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.57 -21.88 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 35.0 mm-40 -92.83 -23.07 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 82' ' ' VAL . 5.1 mmp_? -99.68 -50.56 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.36 -60.0 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.5 m-70 -76.73 13.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 24.4 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.531 ' HB3' HD22 ' A' ' 25' ' ' LEU . 72.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' LYS . 28.2 m -107.31 126.69 52.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.16 132.28 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -95.38 30.49 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 18.4 m-85 -126.47 -46.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -123.15 21.5 9.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 48.18 46.36 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 11' ' ' THR . 32.2 mttm -99.28 171.45 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 58.2 t -143.67 139.24 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -135.45 144.25 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -69.44 -53.8 17.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 96.8 m-85 -91.61 158.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -75.99 -36.62 59.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 34.4 p80 -56.7 -48.84 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 13.1 p -48.22 -52.48 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.5 tp -66.42 -46.39 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -49.98 -44.48 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.97 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -89.52 -36.53 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.29 -18.35 36.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -48.3 -50.28 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' HIS . 15.7 pt -60.89 -33.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 77.0 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.564 0.697 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -44.73 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.716 2.277 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 19.7 m-85 -83.02 127.51 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -121.15 145.07 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -78.34 133.75 63.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.65 24.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' OE1' ' CG ' ' A' ' 60' ' ' HIS . 36.7 mt-30 -79.45 -60.08 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.37 -174.88 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.0 m -84.38 23.22 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -76.16 115.35 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.94 139.3 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -127.7 152.14 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.06 -11.77 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.9 mm -122.22 133.9 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 4.9 mmtp -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.0 89.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -42.58 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' HA ' HD12 ' A' ' 57' ' ' LEU . 22.7 t30 -55.51 -40.7 72.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.51 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -55.92 -47.87 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 54' ' ' ASN . 26.1 mt -48.13 -47.82 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -48.45 -28.26 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.26 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CG ' ' OE1' ' A' ' 42' ' ' GLN . 22.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 80' ' ' LEU . 87.5 m-85 -117.24 111.09 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.88 136.16 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.8 t -64.96 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.25 -23.45 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 40.8 m-85 -87.43 -52.19 5.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -118.42 -177.45 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -93.75 34.4 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -80.45 123.93 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -112.82 136.38 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.94 173.67 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.24 36.64 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.4 p -170.78 116.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -43.62 -52.1 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.91 -63.79 1.87 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -43.07 -50.42 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' PHE . 5.8 tp -53.94 -51.3 64.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -57.18 -59.17 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 -26.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.479 ' ND1' HG21 ' A' ' 87' ' ' VAL . 7.3 t60 -66.36 -36.01 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -77.48 -29.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.454 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.6 mm-40 -81.82 -21.86 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -99.93 -47.21 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' ND1' ' A' ' 83' ' ' HIS . 52.3 t -77.87 -63.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.7 m-70 -78.97 18.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 10.4 mmtp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.937 0.399 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 17' ' ' LYS . 91.4 m -108.1 125.28 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.97 132.97 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -96.64 32.25 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -130.44 -35.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -130.55 11.35 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 23.5 t30 54.42 47.39 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.854 ' O ' HG23 ' A' ' 11' ' ' THR . 28.0 mttp -102.36 -177.76 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.88 145.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -141.25 130.77 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.59 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.48 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 39.2 m-85 -105.16 154.8 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -75.78 -51.07 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 29.7 p80 -48.28 -43.43 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -52.76 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.03 -41.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 44.3 mt-30 -57.26 -50.22 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' C ' ' HD3' ' A' ' 30' ' ' ARG . . . -69.49 -20.55 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.2 t60 -78.98 -53.34 7.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' HIS . 26.1 mt -37.42 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' HIS . 1.5 mpt_? -52.12 -55.24 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -47.31 -23.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 31' ' ' ILE . 74.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 49.0 m-85 -69.9 129.42 39.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.57 148.39 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' TYR . 49.0 t -75.96 128.76 82.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.66 8.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -110.59 -61.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.5 p -114.53 -176.1 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -83.53 37.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' CYS . 8.7 t80 -93.65 115.62 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.18 38.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -138.97 153.27 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.45 -27.6 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' ALA . 29.4 mm -106.38 126.09 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 5.9 mmmt -49.68 -41.82 44.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -64.07 -43.71 94.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.28 -39.85 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.31 -36.41 76.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -64.98 -27.55 68.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 51' ' ' ALA . 57.7 t -79.57 -33.96 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -67.56 -42.49 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -54.24 -37.28 64.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -55.21 -19.74 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -74.17 -45.6 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.629 ' HD2' HG21 ' A' ' 73' ' ' THR . 7.8 ttpp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 80' ' ' LEU . 12.9 m-85 -116.23 119.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.85 34.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.78 138.92 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.09 -36.9 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.7 m-85 -75.28 -59.64 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 p -108.54 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -98.32 31.94 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -78.24 139.98 38.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.629 HG21 ' HD2' ' A' ' 64' ' ' LYS . 2.4 p -132.65 143.15 49.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 t -145.04 147.69 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 75' ' ' LEU . 3.7 mm? -75.88 -6.31 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -125.78 127.92 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 13.0 ptmt -68.72 -36.86 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 77' ' ' LYS . . . -56.32 -39.7 83.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' O ' HG12 ' A' ' 82' ' ' VAL . 6.2 t-80 -72.56 -36.34 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 65' ' ' PHE . 17.7 tp -59.31 -35.48 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -56.2 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 79' ' ' HIS . 7.4 p -59.0 -38.22 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.426 ' ND1' HG21 ' A' ' 87' ' ' VAL . 7.9 t60 -51.71 -40.81 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.78 -19.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 89' ' ' LYS . 19.8 mt-10 -93.21 -22.93 18.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -100.55 -47.57 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.426 HG21 ' ND1' ' A' ' 83' ' ' HIS . 44.5 t -78.2 -62.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 83.9 m-70 -71.63 -35.51 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 17' ' ' LYS . 7.4 m -84.62 144.33 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.6 t -91.1 124.5 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -88.1 34.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 5.7 m-85 -130.66 -42.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -130.48 27.8 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 41.28 45.26 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 11' ' ' THR . 20.7 mtpt -100.02 176.59 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -139.22 128.76 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -124.73 115.71 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG3' ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.52 -13.94 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 87.8 m-85 -118.87 145.03 46.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.32 -52.79 16.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 7.3 p80 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -53.48 -43.62 68.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.56 -48.0 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -47.2 -61.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.08 -40.48 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' LEU . 17.9 t60 -60.8 -54.69 42.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' HIS . 24.6 mt -34.83 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -45.66 -49.05 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 28' ' ' HIS . 2.0 pp -49.69 -34.69 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 74.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 29.4 m-85 -71.49 101.66 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.76 132.12 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.2 t -65.09 122.79 81.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.28 5.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.48 -57.13 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 19.3 p -120.74 -175.73 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 m -83.89 33.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 8.1 t80 -92.9 116.17 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.12 146.08 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -145.23 161.7 38.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.9 -20.29 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.15 126.73 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 6.2 mmtp -56.34 -52.1 65.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.0 -52.85 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -47.1 -45.59 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -53.11 -43.54 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.3 -36.24 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.28 -54.86 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -39.34 -37.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -44.45 -51.89 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -46.75 -49.65 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -111.89 109.48 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.82 127.28 38.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.6 t -53.69 141.99 24.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.42 -40.66 50.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 50.5 m-85 -68.78 -58.08 4.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -113.66 -176.4 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -100.67 70.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 42.0 t80 -120.42 119.06 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -103.04 135.73 44.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.1 t -136.67 171.4 14.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.77 43.63 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -167.44 151.96 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -81.15 -50.51 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.31 -43.77 98.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -52.24 -42.25 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 67' ' ' CYS . 49.6 tp -59.67 -55.22 37.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -52.51 -51.33 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.31 -41.48 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.58 -41.96 86.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.6 mt -71.54 -22.91 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 25.1 mt-10 -93.14 -21.47 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.69 -23.76 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.7 t -102.61 -64.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 89.7 m-70 -71.43 -11.45 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -94.9 100.7 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LYS . 5.8 t -42.15 115.17 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -86.2 32.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 83.8 m-85 -127.59 -42.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -126.74 25.55 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 t-20 47.01 46.11 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' CYS . 18.4 mtpt -107.8 170.1 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -133.71 135.61 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CZ ' ' CD2' ' A' ' 28' ' ' HIS . 44.5 m-85 -130.26 132.24 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE2' ' CZ ' ' A' ' 21' ' ' PHE . 22.4 ttpt -73.07 -35.25 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 3.2 m-85 -103.39 138.61 39.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -64.08 -52.21 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 14.1 p80 -53.29 -45.13 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -50.72 -39.43 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.47 -40.79 56.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -52.29 -45.29 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -76.89 -13.2 60.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t60 -93.0 -15.81 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' HIS . 39.3 mt -81.67 -34.28 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.36 -32.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 32' ' ' HIS . 2.2 pt -70.3 -38.47 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' LEU . 35.3 m170 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' A' ' 48' ' ' ALA . 50.0 mmtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 -38.44 7.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 83.2 m-85 -84.33 118.71 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -115.47 148.35 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.7 t -84.8 121.87 74.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.09 4.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -108.82 -54.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.21 -174.59 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -82.4 38.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 7.8 t80 -95.09 128.48 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.39 141.54 35.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.2 m -142.57 127.23 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . -44.09 -48.08 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -88.14 134.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -65.92 -43.9 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.98 -55.21 7.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -53.66 -52.7 59.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.5 -50.16 68.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -45.9 -43.12 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.98 -36.05 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 28.7 t60 -60.44 -42.58 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.9 mt -52.67 -44.43 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -39.97 13.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -54.26 -39.72 67.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.777 0.323 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.03 105.44 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.18 130.86 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.2 t -57.99 134.23 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.49 -32.01 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 37.5 m-85 -84.99 -67.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -97.53 -176.75 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.0 t -97.33 40.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 24.3 t80 -88.43 119.11 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -101.94 135.45 43.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.456 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 39.9 t -131.85 157.25 44.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -78.82 -41.99 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -94.47 161.41 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -86.75 -62.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.51 -52.67 2.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -46.85 -57.24 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 67' ' ' CYS . 28.2 tp -42.59 -52.76 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -53.05 -52.4 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.62 -37.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' HG21 ' A' ' 87' ' ' VAL . 3.8 t60 -63.26 -38.62 91.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 80.7 mt -75.74 -20.43 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.1 -23.77 18.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -99.7 -47.31 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.461 HG21 ' ND1' ' A' ' 83' ' ' HIS . 38.5 t -77.21 -63.06 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.437 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 84.0 m-70 -72.02 -35.88 69.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 50.4 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.2 m -108.03 132.26 53.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 t -77.39 149.9 35.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -100.67 -15.26 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -79.88 -52.61 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASN . 21.3 p -114.91 26.16 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 49.7 m-80 35.28 43.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.682 ' O ' HG23 ' A' ' 11' ' ' THR . 25.5 mttt -93.2 175.91 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.01 146.05 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -143.6 115.05 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -47.81 -50.47 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -95.38 159.81 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 23.2 ttpt -79.19 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -44.12 -32.17 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 m -66.67 -40.24 88.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -72.96 -43.72 61.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -51.88 -51.63 55.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -26.98 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.4 t60 -71.27 -50.91 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.3 mt -40.82 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.2 mtm180 -52.91 -47.51 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 28' ' ' HIS . 5.3 pt -58.48 -23.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 46' ' ' ALA . 8.0 mtmp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.571 0.701 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.74 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 28.5 m-85 -75.55 130.89 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -131.26 149.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.8 t -101.46 114.02 65.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.15 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.394 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 4.1 mm-40 -99.78 -64.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' TYR . 26.9 p -118.34 41.95 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m 39.63 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' CYS . 5.0 t80 -78.76 118.22 20.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.444 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . -119.69 147.44 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 t -148.75 149.11 30.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -78.45 44.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' ALA . 2.7 mt -154.99 161.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -98.96 -46.16 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.95 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -40.09 -46.27 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 38' ' ' TYR . 18.6 tp -66.24 -56.84 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.65 -42.55 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.17 -48.05 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -51.6 -45.29 63.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.95 -47.65 64.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -45.04 -45.1 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -47.0 -34.89 6.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 42' ' ' GLN . 79.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 28.9 m-85 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.95 127.26 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.492 ' HA ' HD11 ' A' ' 80' ' ' LEU . 40.1 t -56.37 152.73 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -86.79 -43.32 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.5 m-85 -69.84 -46.42 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.0 p -117.53 177.68 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -96.83 37.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 40.1 t80 -80.05 155.45 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 p -139.28 139.66 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 28.3 p -142.95 -177.69 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 74' ' ' CYS . 9.3 mp -121.86 41.86 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -173.82 108.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 28.2 pttt -45.85 -46.91 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.42 49.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -49.96 -45.15 51.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 67' ' ' CYS . 8.7 tt -57.84 -56.43 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -43.14 -39.75 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.2 t -78.54 -42.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -54.49 -37.81 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 80' ' ' LEU . 38.9 mt -76.96 -22.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 80.9 mt-10 -93.4 -20.77 20.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -100.35 -39.42 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.1 -64.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.4 m-70 -71.75 -36.76 70.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' HB3' HD22 ' A' ' 25' ' ' LEU . 80.0 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -108.48 121.89 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.52 120.72 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.91 30.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -124.6 -42.86 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -129.08 26.31 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 44.96 52.76 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -110.39 170.3 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -137.59 135.45 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -133.74 115.77 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -54.26 -47.31 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.49 152.12 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -75.03 -52.99 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -52.48 -37.34 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -58.42 -43.7 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 10' ' ' PHE . 9.8 tp -70.37 -55.87 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -39.52 -53.79 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -64.59 -51.6 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.69 -25.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -49.02 -42.55 38.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 pt -55.27 -26.99 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 65.5 m-85 -75.6 107.03 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -109.29 141.35 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.0 t -74.59 121.69 85.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -105.9 -58.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.87 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -82.56 44.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.485 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.0 t80 -103.38 122.57 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.51 155.33 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 p -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.63 -38.61 6.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -103.29 131.87 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 38' ' ' TYR . 8.5 ptpt -64.99 -43.2 93.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.06 -43.31 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -66.57 -38.88 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.01 -47.35 80.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -46.81 -45.07 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.62 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -61.74 -54.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.3 mt -41.82 -42.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -44.72 -44.38 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -48.35 -50.16 31.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -105.73 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.05 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' CYS . 13.6 t -63.15 144.08 57.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -76.68 -38.54 54.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 31.3 m-85 -75.29 -47.4 28.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 20.9 p -121.68 -177.68 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -97.55 47.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -96.11 117.28 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -100.77 133.55 45.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 30.2 t -129.92 147.53 51.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.82 -40.72 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 p -97.76 177.39 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.16 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.92 -56.98 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -48.08 -47.99 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.78 -55.29 36.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -50.55 -49.92 54.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.43 -43.27 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.5 t60 -51.23 -39.12 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 59.8 mt -75.68 -17.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 89' ' ' LYS . 45.6 mt-10 -93.2 -25.11 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -100.6 -44.13 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG21 ' ND1' ' A' ' 83' ' ' HIS . 53.8 t -77.25 -63.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 88.9 m-70 -71.12 -26.44 63.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 4.8 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -68.79 144.92 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -135.21 106.89 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.77 39.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 171.91 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -164.18 109.08 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.9 -80.97 0.34 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.55 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -111.59 175.67 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.36 142.18 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 63.7 m-85 -102.95 109.18 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -104.73 135.16 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -83.85 122.67 29.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 11.3 pt-20 -85.59 32.95 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.4 m-85 -126.99 -51.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -122.46 23.02 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.5 t30 47.56 44.35 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -97.68 171.81 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.53 138.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 2.1 m-85 -134.48 128.84 34.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . 90.1 m-85 -87.95 169.22 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 41.0 tttm -87.22 -53.62 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 21' ' ' PHE . 6.7 p80 -48.21 -33.26 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 10' ' ' PHE . 27.9 tp -62.66 -47.12 85.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -51.42 -61.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -56.42 -34.23 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.15 -44.86 94.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -50.49 -17.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 1.9 mmp_? -48.25 -51.47 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -64.5 -19.45 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 65.3 m-70 -92.07 57.9 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 p -151.42 125.24 9.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -120.77 94.0 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -117.54 -12.27 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.666 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.08 151.74 39.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -41.03 4.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 70.2 m-85 -91.65 114.0 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -111.59 149.81 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.48 133.49 38.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.92 9.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.84 -175.74 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 29.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -77.18 120.41 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -132.91 149.51 52.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -156.89 133.32 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -54.76 -31.81 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 50' ' ' LYS . 12.0 mt -72.68 159.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 49' ' ' ILE . 3.3 mptt -94.8 -50.3 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -58.73 -53.59 56.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.0 t-20 -35.71 -46.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 38' ' ' TYR . 43.9 tp -62.16 -55.2 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -44.94 -49.6 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.95 -43.79 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -55.95 -52.59 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.5 mt -45.22 -46.12 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -48.57 -34.33 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' O ' HD11 ' A' ' 75' ' ' LEU . 54.5 mttm -56.27 -35.65 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -71.02 92.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.6 77.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.94 -97.32 2.31 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.443 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -139.29 129.97 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -94.88 166.32 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 33.8 m-85 -115.16 107.2 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.26 141.68 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.832 ' HA ' HD11 ' A' ' 80' ' ' LEU . 21.7 t -70.2 138.03 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.08 -35.49 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.44 -58.1 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -111.28 -177.22 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -95.53 39.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.22 122.55 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -106.8 137.64 44.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.75 149.83 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 59' ' ' LYS . 3.8 mm? -65.8 -40.51 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 m -99.03 172.62 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 65.3 tttt -98.17 -51.99 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.98 -38.9 25.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -60.85 -45.12 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' HA ' ' A' ' 67' ' ' CYS . 21.2 tp -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.63 -46.8 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.06 -32.34 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.64 -29.05 70.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.15 -25.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 23.3 mt-10 -88.01 -20.37 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -100.09 -44.58 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 t -81.47 -62.25 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -75.97 10.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 47.8 mmtt -152.42 147.19 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.09 28.99 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.9 mt -130.44 122.94 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -142.68 170.51 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -169.15 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.16 8.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -168.97 148.06 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -157.12 173.29 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.49 -148.95 5.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.7 172.47 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.7 mt -128.25 147.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 m-85 -127.47 92.95 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.2 m -86.69 137.55 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.0 t -86.04 119.1 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.93 19.0 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.702 ' CE2' HD22 ' A' ' 29' ' ' LEU . 14.0 m-85 -115.31 -37.16 4.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.52 27.02 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 39.67 50.7 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 11' ' ' THR . 28.1 mttp -105.84 170.89 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.31 128.09 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -122.21 160.76 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 42.3 tttt -102.45 -39.02 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 47.7 m-85 -98.84 145.44 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -66.16 -57.46 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -51.47 -39.43 57.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -54.14 -50.27 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.6 tp -72.73 -47.89 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -47.52 -46.04 27.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.48 -16.24 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -85.42 -42.84 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 14' ' ' TYR . 32.9 mt -54.41 -17.12 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -50.04 -44.54 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.93 -24.46 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . 92.8 m-70 -91.98 35.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.6 p -115.66 175.41 5.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -41.58 163.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.43 141.01 29.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.56 124.64 10.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CZ ' ' CG ' ' A' ' 50' ' ' LYS . 42.4 m-85 -75.38 118.4 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 145.94 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.89 132.57 50.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.8 Cg_endo -69.73 -28.22 25.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -77.53 -61.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -174.99 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -83.57 21.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.9 t80 -77.68 128.44 34.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.53 151.47 51.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -139.55 167.17 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.9 -18.58 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.28 127.69 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 7.1 mtpm? -58.78 -43.05 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.83 98.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -59.75 -44.56 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.83 -33.52 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.19 -40.97 97.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.95 -39.81 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -58.1 -53.52 57.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' A' ' 41' ' ' PRO . 87.2 mt -41.73 -37.34 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.26 -44.13 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 61' ' ' THR . 9.4 mptt -48.31 -44.6 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.62 89.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 59' ' ' LYS . 5.3 t -166.91 142.14 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.68 -173.9 31.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -49.42 111.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -66.72 160.08 26.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.26 107.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.71 129.78 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 t -62.76 142.79 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.02 -41.04 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.6 m-85 -68.51 -47.59 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 p -126.05 -179.26 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 m -96.91 69.14 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 50.3 t80 -117.49 129.9 56.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.5 p -118.57 133.49 55.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.3 t -140.79 141.94 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.23 43.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 m -161.6 144.31 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -79.41 -50.09 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.49 94.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -54.99 -42.26 72.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.31 -57.24 13.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -49.09 -55.81 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.3 -35.32 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.16 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -89.6 -27.31 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -83.36 -22.19 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LYS . 18.1 mmt85 -99.49 -50.95 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -75.9 -61.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.1 m-70 -77.19 12.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' ARG . 32.2 mttm -155.46 129.8 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -105.38 162.75 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 tt -71.19 126.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.885 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -92.4 42.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -113.6 170.75 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.73 158.81 14.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -174.21 123.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.5 t -174.56 152.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.53 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 11.6 ptmt -134.1 178.64 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.06 144.86 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 61.2 m-85 -113.95 94.49 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.6 m -91.11 121.66 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.71 124.96 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.68 27.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.529 ' CB ' ' CD2' ' A' ' 32' ' ' HIS . 4.1 m-85 -123.77 -41.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.51 30.7 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.2 t-20 40.31 47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 11' ' ' THR . 33.3 mttm -104.16 -179.12 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.58 145.8 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' A' ' 25' ' ' LEU . 40.1 m-85 -142.92 121.44 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -59.77 -42.17 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.46 148.93 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.47 -51.37 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -59.41 -32.56 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -58.07 -50.35 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 19' ' ' PHE . 22.6 tp -64.24 -58.4 6.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.0 mm-40 -34.86 -57.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -37.6 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.3 t60 -66.12 -51.75 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -38.12 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' HIS . 69.0 mtm180 -53.33 -48.4 68.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -44.74 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.529 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 85.4 m-70 -89.35 -36.13 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' ARG . 6.9 t -117.3 48.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -164.5 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -123.29 144.31 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.05 132.41 22.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -51.4 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' HB3' HD22 ' A' ' 53' ' ' LEU . 89.3 m-85 -71.23 108.42 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -105.56 149.03 26.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -88.39 119.47 70.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -93.83 -53.18 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -128.41 -177.36 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -81.85 40.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 17.3 t80 -100.17 130.37 46.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.03 139.82 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -133.72 157.04 46.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.63 -44.63 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -86.09 141.69 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -61.77 -59.98 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.68 -54.67 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -40.35 -53.04 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 38' ' ' TYR . 19.5 tp -56.13 -51.95 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -48.47 -36.78 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.08 -28.73 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.435 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 22.1 t60 -85.26 -31.64 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.24 -46.32 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -50.8 -17.53 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -75.25 -43.19 52.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -61.49 -72.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -43.08 148.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.91 -67.91 1.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -148.88 121.98 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -72.72 147.39 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 63.4 m-85 -99.77 107.51 19.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.46 141.57 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.36 143.6 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -46.11 65.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -67.06 -62.82 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.8 p -104.53 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -100.89 40.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 6.8 t80 -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -107.2 139.87 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 26.4 p -144.03 167.53 22.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.49 42.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -172.44 118.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.4 tptp -55.31 -47.77 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.1 92.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -59.75 -27.04 66.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.07 -46.29 52.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.79 -52.57 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.503 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 14.5 p -62.91 -24.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.7 mt -75.72 -18.08 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -93.42 -25.35 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -98.39 -43.69 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.21 -63.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.51 2.42 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -149.8 -175.33 4.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -118.25 -44.4 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.2 mm -116.22 145.14 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' NZ ' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -146.32 139.15 25.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -145.79 165.0 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.29 115.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -102.72 132.8 48.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -59.16 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.49 50.92 51.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 173.89 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.83 149.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.5 m-85 -121.38 113.88 20.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' LYS . 12.7 m -101.04 146.83 26.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -92.15 131.81 37.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.58 27.64 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 75.5 m-85 -126.34 -38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.1 26.87 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.07 46.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' THR . 28.9 mttm -100.66 176.39 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 97.0 t -139.06 148.55 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 24.8 m-85 -144.24 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -82.39 -40.92 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -100.91 145.42 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.93 -62.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 11.4 p-80 -42.75 -42.12 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -57.25 -40.8 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 10' ' ' PHE . 16.7 tp -74.04 -44.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -52.41 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -66.21 -38.39 87.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.16 -12.7 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -54.62 -43.06 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.49 -21.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 89.4 m-70 -94.0 -39.51 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.1 p -119.29 117.0 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -94.05 121.07 35.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -132.88 93.12 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -144.68 119.13 5.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.56 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.91 121.78 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.663 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 6.6 mtmp? -124.26 147.03 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.79 124.73 89.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.64 3.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -111.58 -55.2 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.79 -174.82 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -84.41 28.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 5.4 t80 -85.04 119.75 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -136.38 156.6 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 t -161.12 133.88 6.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.85 -30.77 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.44 149.41 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -79.0 -56.3 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -49.15 -56.0 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.053 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 4.8 t-20 -35.78 -51.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.87 -42.23 99.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 41.7 m-20 -62.1 -40.95 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.07 -23.29 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -80.78 -42.19 22.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.83 -47.31 74.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 64' ' ' LYS . 41.9 mtt-85 -44.85 -29.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -65.51 -46.72 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -48.1 -69.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -56.65 -35.22 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.68 -76.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -152.59 162.29 41.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 18.5 mttt -125.47 154.73 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -115.94 113.5 23.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.51 150.68 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.467 ' HA ' HD11 ' A' ' 80' ' ' LEU . 53.8 t -77.23 136.44 38.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.88 -34.06 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 51.8 m-85 -77.62 -68.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.8 p -92.9 -175.16 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 m -101.38 30.29 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 49.7 t80 -73.93 156.76 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 72' ' ' PHE . 68.3 p -143.99 137.5 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 27.3 p -142.97 -177.44 5.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.98 45.44 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -167.34 130.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -57.96 -62.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.46 -49.67 38.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -48.29 -38.12 18.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 67' ' ' CYS . 48.8 tp -67.79 -41.44 83.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -63.74 -58.4 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.99 -25.41 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.675 ' O ' HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -67.94 -48.3 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 84' ' ' ILE . 60.6 mt -67.08 -15.26 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.41 -33.66 13.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' C ' ' HB3' ' A' ' 90' ' ' LYS . 91.7 mtt-85 -98.48 -12.98 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 83' ' ' HIS . 47.7 t -102.91 -66.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 96.7 m-70 -77.75 -34.65 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -100.84 41.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 86' ' ' ARG . 4.7 tppp? -175.58 134.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.57 126.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -162.28 155.73 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -131.26 154.37 48.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.8 -132.77 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 9.1 t -154.01 165.11 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.86 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 86.1 p -37.02 149.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.98 73.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.95 -177.23 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 8' ' ' LYS . 52.5 mt -152.94 133.03 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' CE2' ' HE2' ' A' ' 8' ' ' LYS . 48.6 m-85 -98.63 98.42 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -97.52 112.79 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.9 t -54.97 127.55 29.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.4 28.81 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CE1' ' CD2' ' A' ' 29' ' ' LEU . 76.9 m-85 -123.24 -45.22 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -125.61 25.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 28.0 t30 46.24 43.67 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' CYS . 23.2 mttm -101.6 165.4 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.97 139.93 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -133.85 152.39 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.4 -39.71 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 7.2 m-85 -102.43 151.39 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 3.4 p-80 -42.11 -45.91 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -51.46 -47.23 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.2 tp -69.49 -48.14 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -51.62 -53.63 36.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.29 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -75.66 -22.99 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' ' CE1' ' A' ' 14' ' ' TYR . 43.5 mt -70.61 -7.92 47.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.27 -49.56 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD12 ' CB ' ' A' ' 44' ' ' SER . 27.4 pt -61.67 -23.46 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -84.3 -39.87 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -87.02 88.85 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -145.02 169.24 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 7.1 pt-20 -106.26 68.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.3 mppt? -144.26 116.89 5.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 58.6 m-85 -72.56 120.44 18.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -109.6 150.28 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.3 130.16 72.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 -3.92 12.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -108.23 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.8 p -112.73 -174.75 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.432 ' CB ' HD12 ' A' ' 31' ' ' ILE . 68.3 m -83.96 24.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 30.0 t80 -81.86 128.48 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -129.8 145.7 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -137.44 136.66 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' H ' ' A' ' 51' ' ' ALA . 21.7 mm -101.73 125.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 6.0 mtmp? -56.08 -35.27 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.51 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -65.16 -40.95 95.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -64.95 -35.6 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.1 -45.74 83.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.16 -45.23 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.76 -40.48 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.75 -49.78 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' A' ' 41' ' ' PRO . 78.8 mt -44.54 -42.94 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -45.55 -42.32 10.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' THR . 43.2 mttt -50.5 -45.85 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -56.0 85.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 61' ' ' THR . 9.0 t -171.87 118.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 46.72 -147.86 2.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.431 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -135.84 151.47 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -101.8 124.47 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 27.1 m-85 -97.52 110.74 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.57 148.15 28.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.5 t -77.84 138.72 39.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.24 -44.48 65.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 59.4 m-85 -69.63 -61.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.17 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.2 m -95.6 40.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -84.91 149.17 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -131.63 138.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 75' ' ' LEU . 34.8 t -132.63 161.0 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' N ' ' SG ' ' A' ' 74' ' ' CYS . 3.9 mm? -83.03 -42.61 17.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.4 p -90.59 -179.86 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -112.61 -15.52 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.41 -29.11 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -73.3 -34.21 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 tp -61.84 -41.32 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -65.07 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.21 -24.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.95 -31.79 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 68.3 mt -79.77 -31.71 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -80.04 -21.32 43.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' LYS . 3.7 mmp_? -99.4 -48.91 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.52 -60.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 94.6 m-70 -77.85 14.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' ARG . 21.3 mttm -155.68 173.47 16.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -147.93 151.26 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' LYS . 2.6 tp -35.77 124.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -165.38 163.5 19.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -174.22 172.54 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.32 -179.37 46.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -162.22 164.81 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -173.42 121.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.9 -157.01 9.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -124.37 165.48 17.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -127.61 151.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' HB3' HD22 ' A' ' 25' ' ' LEU . 51.9 m-85 -124.36 91.99 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 17' ' ' LYS . 11.4 m -85.45 145.41 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.82 128.16 38.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 6.2 pt-20 -92.0 34.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 16.7 m-85 -131.13 -40.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.1 p -131.28 25.63 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.48 52.18 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' THR . 34.6 mttm -108.07 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -137.31 135.13 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -134.02 115.21 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -59.48 -25.36 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 20' ' ' LYS . 87.9 m-85 -98.77 155.69 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.21 -39.75 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -65.5 -39.34 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -53.92 -58.47 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 23.4 tp -53.23 -51.78 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -54.2 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.59 61.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -79.6 -44.36 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -47.67 -23.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -50.34 -47.38 55.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' H ' HG23 ' A' ' 31' ' ' ILE . 9.4 pt -49.17 -29.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 67.5 m-70 -84.14 -41.47 17.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 p -103.61 86.85 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -171.72 178.72 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -128.5 -41.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -42.28 111.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.96 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 68.8 m-85 -71.03 106.55 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.51 148.21 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' TYR . 48.9 t -80.08 119.29 76.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.21 5.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -109.05 -43.96 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.12 -176.42 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -81.89 43.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 7.7 t80 -100.57 122.94 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.41 151.84 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -162.17 118.87 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.56 -42.88 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 mt -69.05 139.02 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -74.13 -59.44 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.56 -36.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -58.38 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.44 -42.54 43.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.54 -41.15 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.07 -18.8 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 39.4 t60 -90.52 -43.02 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -55.52 -54.8 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -40.41 -35.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -56.53 -44.88 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' THR . 95.2 m-70 -64.63 -63.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 61' ' ' THR . 11.5 t 33.18 48.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.49 -64.73 1.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -157.23 144.07 18.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -132.83 117.99 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 80' ' ' LEU . 31.7 m-85 -66.57 123.93 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 132.4 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.02 147.55 38.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -41.33 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 78.6 m-85 -67.91 -41.04 83.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.67 -179.98 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.4 p -96.32 63.66 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 30.8 t80 -111.21 121.59 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -107.14 131.96 53.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 22.2 p -139.33 151.62 46.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.22 45.3 0.99 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 114.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -43.91 -51.86 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.81 -50.35 44.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.3 -36.51 42.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 65' ' ' PHE . 20.5 tp -70.97 -33.09 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -73.78 -52.64 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.0 -21.22 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -72.7 -40.12 66.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 88' ' ' HIS . 46.4 mt -77.1 -26.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -83.01 -24.09 33.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -99.53 -48.88 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.93 -58.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.5 m-70 -80.15 16.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.6 mmtt -155.62 153.64 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -118.49 147.1 43.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.717 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -84.63 17.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.837 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -81.61 95.42 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -157.35 178.12 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.64 166.15 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -116.21 -40.93 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m 46.39 53.33 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.42 161.0 38.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -101.79 166.7 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.5 mt -134.86 136.54 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -93.52 99.54 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' LYS . 20.8 m -104.73 143.64 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 29' ' ' LEU . 11.3 t -89.84 127.07 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.08 17.68 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' HD22 ' A' ' 29' ' ' LEU . 21.8 m-85 -114.43 -38.49 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -127.49 13.44 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 m120 49.06 54.55 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 11' ' ' THR . 23.8 mttt -111.8 168.9 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 78.8 t -132.42 145.11 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 25' ' ' LEU . 12.0 m-85 -139.03 169.47 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -106.28 -40.05 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -96.21 141.02 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -63.57 -51.89 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -58.43 -43.01 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.797 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -46.4 -58.65 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.765 HD13 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -69.2 -46.51 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -45.2 -45.97 11.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -24.17 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 31' ' ' ILE . 15.9 t60 -77.53 -45.24 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.749 ' O ' HG22 ' A' ' 33' ' ' THR . 71.7 mt -50.17 -17.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 13.0 mtp-105 -55.9 -48.46 75.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -58.73 -22.53 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.7 m-70 -89.07 -75.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 29' ' ' LEU . 1.6 t -51.07 122.1 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -168.41 177.93 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -92.32 129.33 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 8.4 mptt -113.36 136.77 21.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' HB3' HD22 ' A' ' 53' ' ' LEU . 99.0 m-85 -73.97 126.92 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -133.24 146.7 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.18 130.85 85.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 0.83 5.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -114.01 -43.02 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.99 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -76.92 47.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 4.9 t80 -95.03 120.45 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -131.88 138.24 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.2 m -129.42 -10.5 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 47' ' ' SER . . . 69.61 25.07 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 48' ' ' ALA . 20.9 mt -150.11 145.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 18.0 mttm -72.74 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.96 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.42 -56.62 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.9 tp -46.12 -51.94 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -50.98 -39.15 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.58 -33.18 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.647 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 24.1 t60 -64.91 -49.44 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD21 ' HD2' ' A' ' 41' ' ' PRO . 64.0 mt -46.7 -45.31 19.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.96 -38.36 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -52.68 -47.62 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -52.99 95.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.9 p -139.78 127.19 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.89 -128.58 6.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.83 154.18 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.402 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -117.18 139.69 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.43 126.01 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.71 146.86 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.53 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.7 t -78.68 135.58 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.79 -38.05 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.446 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.7 m-85 -68.44 -58.31 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.75 -179.26 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 t -98.07 67.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -115.62 153.5 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -138.01 143.77 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.4 p -143.64 -176.88 5.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.71 44.28 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -170.85 116.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -49.98 -43.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.67 96.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -53.6 -44.91 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 67' ' ' CYS . 23.6 tp -54.3 -55.33 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -50.57 -52.19 41.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.49 -42.22 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.817 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -54.89 -45.08 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 84' ' ' ILE . 82.0 mt -69.32 -9.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 89' ' ' LYS . 85.9 mt-10 -93.02 -34.38 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' LYS . 93.6 mtt180 -100.02 -47.56 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.817 HG21 ' ND1' ' A' ' 83' ' ' HIS . 63.9 t -61.13 -69.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.446 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 97.5 m-70 -73.1 -35.63 66.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 86' ' ' ARG . 9.1 mptt -106.0 144.56 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -171.05 157.87 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.4 tt -145.3 133.3 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -158.92 161.96 36.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -44.54 153.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.44 175.33 18.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -86.12 161.11 19.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -53.86 -55.88 22.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.2 114.14 3.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 174.83 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.5 mt -128.48 146.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.21 102.41 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.0 m -100.81 147.31 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -95.73 129.62 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.38 33.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 30.2 m-85 -130.05 -39.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.22 25.02 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.72 46.99 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' THR . 18.8 mtpt -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 86.5 t -143.78 150.1 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 3.2 m-85 -144.24 147.02 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -96.81 18.31 14.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -147.56 155.8 42.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -78.67 -48.13 15.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 36.3 p-80 -60.64 -36.59 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.6 p -54.63 -59.72 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' HIS . 20.7 tp -60.07 -61.69 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 12.8 mm100 -36.57 -55.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.99 79.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' ARG . 7.7 t60 -63.4 -56.06 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.0 mt -38.74 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' HIS . 80.5 mtt180 -49.6 -46.39 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 32' ' ' HIS . 6.2 pt -53.28 -24.76 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' ILE . 88.0 m-70 -87.81 -60.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.8 p -65.12 126.87 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -112.97 138.5 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 29.8 mp0 -124.5 -51.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -44.17 120.43 3.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 54.6 m-85 -73.22 115.45 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -112.37 148.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.3 t -82.49 123.04 79.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.36 11.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.56 -58.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 17.8 p -119.82 -174.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -84.36 31.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.8 t80 -90.05 136.75 32.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.76 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 p -164.6 144.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.76 -23.22 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.59 139.81 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 40.0 mttt -58.01 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.04 -49.42 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.62 -48.54 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -54.43 -38.88 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.22 -22.12 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -89.26 -38.53 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.62 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -46.12 -26.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' A' ' 75' ' ' LEU . 27.9 mttt -66.41 -45.33 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -50.47 -56.46 11.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.0 t -74.93 136.14 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 137.87 -129.26 4.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -146.32 163.41 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -119.7 135.42 54.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.94 116.68 32.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.01 134.34 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.9 t -61.63 142.22 57.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.48 -41.56 46.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 60.3 m-85 -68.53 -52.19 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.6 p -117.86 -178.85 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.7 p -100.78 67.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -116.37 122.21 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -105.35 138.28 41.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.5 p -141.57 170.99 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 59' ' ' LYS . 86.8 mt -113.02 41.72 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -47.25 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -38.5 95.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -56.01 -39.97 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 67' ' ' CYS . 19.7 tp -63.68 -55.58 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -49.33 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.94 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -56.07 -38.69 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 12.1 mm-40 -93.33 -22.01 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -98.89 -41.86 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.06 -64.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.9 m-70 -72.2 -31.61 66.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -118.51 166.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -116.66 151.41 36.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.8 pt -86.4 134.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -170.66 175.27 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -157.99 178.76 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 161.54 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -153.93 179.06 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.87 169.06 25.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.79 -168.47 12.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -152.47 134.17 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.6 mt -102.68 140.04 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 55.3 m-85 -109.48 98.71 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.9 m -96.14 142.52 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -88.85 124.22 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -88.38 32.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 13' ' ' GLU . 30.5 m-85 -128.87 -43.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.74 21.36 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 46.09 52.07 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 11' ' ' THR . 27.1 mttt -106.13 172.49 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.88 127.8 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 28' ' ' HIS . 56.5 m-85 -124.69 119.96 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -65.11 -38.82 91.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -94.94 153.65 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 9.8 ttmt -69.3 -62.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -48.51 -43.78 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -46.44 -41.39 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 10' ' ' PHE . 20.9 tp -76.37 -55.49 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 22' ' ' LYS . 6.9 mp0 -46.47 -50.79 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 -20.25 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 t60 -82.54 -45.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -49.36 -19.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -49.51 -50.67 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 32' ' ' HIS . 9.8 pt -53.4 -24.2 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 -90.75 -52.91 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.5 p -102.1 89.91 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -113.52 112.48 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -106.68 -36.32 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 29.6 mttt -45.5 129.9 6.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.5 m-85 -71.08 102.8 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -104.4 144.53 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -73.12 128.34 87.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.743 2.295 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -112.05 -67.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.56 -174.51 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -83.93 28.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 t80 -85.34 125.72 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -136.89 165.15 26.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 117.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.71 -23.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.04 138.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 17.8 mmtt -67.47 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' LYS . . . -37.47 -50.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -46.64 -45.44 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 38' ' ' TYR . 22.1 tp -68.09 -53.25 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -45.12 -48.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.66 -37.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -58.9 -49.36 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -48.54 -33.96 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -73.82 -26.15 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -72.7 -21.48 61.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -65.22 93.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.9 p -150.17 143.99 25.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -119.29 -117.06 2.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -100.76 124.39 46.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -82.28 159.81 23.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.7 109.12 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.58 145.5 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.663 ' HA ' HD11 ' A' ' 80' ' ' LEU . 47.2 t -77.54 141.06 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.06 -44.92 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 55.6 m-85 -66.51 -59.1 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -114.02 -176.15 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 m -99.85 72.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -119.27 130.48 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -117.63 141.03 48.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.9 t -137.96 167.34 21.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.2 mm? -79.3 -41.96 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.6 m -102.19 170.15 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLY . 29.2 tttm -86.82 -54.78 4.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -38.5 -50.9 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.456 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -48.04 -49.1 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 67' ' ' CYS . 35.7 tp -53.98 -56.04 21.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -54.32 -44.6 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.41 -30.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.4 t60 -70.56 -36.28 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -77.61 -30.68 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 5.5 mm-40 -84.37 -19.8 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -100.43 -46.57 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.38 -60.84 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 85.8 m-70 -77.67 14.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 19.6 mmtp -154.06 155.51 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -47.49 149.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.4 mt -95.09 95.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -133.26 167.81 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -128.68 -55.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.87 -158.13 19.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -172.89 173.04 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -159.83 158.98 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.6 135.23 3.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.59 -177.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -139.44 143.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.407 ' HB3' HD22 ' A' ' 25' ' ' LEU . 96.5 m-85 -110.58 112.74 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.3 m -109.05 125.56 52.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 t -69.06 127.02 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.28 27.13 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 38.8 m-85 -122.32 -38.24 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.28 21.51 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 29.4 t30 47.3 48.96 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' HG23 ' A' ' 11' ' ' THR . 21.9 mttt -104.66 170.26 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -134.82 134.3 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 25' ' ' LEU . 34.8 m-85 -130.37 126.54 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -57.41 -49.13 77.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 87.2 m-85 -98.08 156.17 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -74.5 -49.83 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 27.3 p80 -50.85 -46.29 60.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 m -52.6 -45.11 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 10' ' ' PHE . 18.5 tp -67.98 -51.04 51.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -41.87 -61.0 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.68 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 6.4 t60 -60.81 -48.17 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -42.58 -23.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' HIS . 58.3 mtp180 -53.36 -47.07 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -45.72 -22.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 83.2 m-70 -94.5 -62.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -102.49 132.01 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 72.38 50.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -91.44 164.14 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 21.2 mttm -75.82 150.16 83.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.76 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' HD2' ' A' ' 50' ' ' LYS . 67.4 m-85 -82.61 124.19 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.35 145.26 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.82 120.72 82.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.1 Cg_endo -69.75 -3.27 11.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -105.24 -46.73 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.0 p -134.16 -174.8 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -68.67 -22.62 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 21.3 t80 -38.64 134.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -140.78 154.9 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.2 m -143.55 154.25 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -34.71 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mt -94.78 149.45 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' CD1' ' A' ' 38' ' ' TYR . 13.7 tptm -68.63 -53.58 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -54.21 -56.02 22.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 47.8 t-20 -34.9 -52.26 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.98 -54.91 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 57' ' ' LEU . 77.4 m-20 -38.67 -40.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.6 -53.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -47.14 -43.03 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 54' ' ' ASN . 50.4 mt -50.11 -31.59 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -55.98 -36.72 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -78.1 55.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.3 p -123.98 -43.54 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.97 -112.49 0.59 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -154.96 143.92 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -124.38 165.53 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -118.46 123.18 44.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.62 151.95 18.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HA ' HD11 ' A' ' 80' ' ' LEU . 30.9 t -82.64 141.61 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -72.46 -47.42 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -65.14 -59.64 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.19 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 34.26 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.75 155.61 26.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.1 p -140.77 146.71 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.4 t -144.97 145.39 31.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.96 -38.68 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.0 p -103.48 154.44 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -80.15 -52.71 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.92 -35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -70.37 -36.95 74.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 67' ' ' CYS . 15.2 tp -61.81 -40.62 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -64.13 -58.84 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.87 -30.87 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -63.8 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 63.1 mt -73.74 -20.94 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 62.1 mt-10 -93.93 -22.42 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 mtt-85 -101.58 -24.33 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 83' ' ' HIS . 42.6 t -102.41 -64.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 84' ' ' ILE . 90.5 m-70 -70.69 -9.88 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 35.5 mmtt -134.96 72.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -82.34 43.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 91' ' ' ILE . 5.2 mp -108.54 80.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -138.34 123.32 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -150.27 106.08 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.24 47.54 0.98 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 90.46 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -174.86 163.78 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.91 -174.24 16.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -118.87 -178.69 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.1 137.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.765 ' HB3' HD22 ' A' ' 25' ' ' LEU . 98.0 m-85 -106.05 90.0 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 95.3 m -104.29 106.15 16.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' LYS . 8.0 t -51.39 134.15 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -97.42 33.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.34 -50.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -109.78 5.7 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 63.17 34.17 13.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' CYS . 33.3 mttt -98.94 161.61 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 5.5 p -141.59 139.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.4 m-85 -125.69 132.27 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.96 -28.04 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.95 158.12 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -81.89 -49.05 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -52.35 -38.4 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -56.98 -60.9 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.2 tp -57.46 -53.19 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -40.36 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.04 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 26.5 t60 -67.65 -54.14 22.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.43 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mtt-85 -50.47 -51.09 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.9 pt -53.53 -24.62 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.462 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 -89.72 -47.13 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.4 p -89.43 49.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -128.45 88.49 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -121.58 41.6 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 28.1 mttt -130.95 98.06 19.66 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.75 -48.84 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.426 ' HB3' HD22 ' A' ' 53' ' ' LEU . 65.5 m-85 -69.47 113.25 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -111.97 149.44 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -82.17 126.3 74.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.77 -4.75 14.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 60' ' ' HIS . 10.0 mt-30 -107.28 -62.44 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 p -112.5 -177.35 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -83.64 35.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 4.1 t80 -89.2 123.5 33.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.22 154.54 46.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -163.51 159.61 22.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -83.55 36.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 48' ' ' ALA . 4.1 mt -148.51 137.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -81.82 -40.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -54.33 48.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -48.7 -52.56 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 38' ' ' TYR . 31.9 tp -52.61 -56.09 17.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -42.69 -51.25 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' HIS . 57.5 t -64.04 -62.04 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 32.0 t60 -35.28 -47.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 HD21 ' HD2' ' A' ' 41' ' ' PRO . 85.7 mt -46.07 -46.68 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 59' ' ' LYS . 5.7 ptm180 -43.68 -42.92 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HE3' ' ND1' ' A' ' 56' ' ' HIS . 42.6 mtmt -49.91 -39.43 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 42' ' ' GLN . 64.5 m-70 -61.57 95.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -136.23 113.11 10.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.41 58.22 3.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -109.22 116.71 32.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -59.24 133.79 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 43.7 m-85 -89.8 112.97 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.52 134.59 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.9 149.77 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.31 -41.25 15.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 9.5 m-85 -71.97 -48.22 46.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.3 p -116.17 -178.63 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -83.08 154.88 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -144.04 144.3 31.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.2 p -139.84 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.5 -42.15 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -110.41 134.34 52.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 26.3 pttt -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.56 -45.24 8.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.4 -48.73 78.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.02 -50.8 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -50.65 -55.3 17.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 86' ' ' ARG . 94.0 t -55.16 -43.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.16 -36.47 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 88' ' ' HIS . 42.8 mt -78.06 -37.7 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mt-10 -74.3 -20.36 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HG3' HG12 ' A' ' 82' ' ' VAL . 20.9 mmt180 -100.01 -52.12 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.0 -58.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.435 ' HB2' HG23 ' A' ' 84' ' ' ILE . 91.1 m-70 -78.57 15.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 39.1 mmtt -155.04 177.69 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -138.12 106.35 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 pt -91.4 17.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -161.66 137.35 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.809 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -134.17 137.06 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.02 77.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -101.33 127.44 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -40.47 159.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.95 47.86 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -163.12 139.88 7.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.2 146.27 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.611 ' HB3' HD22 ' A' ' 25' ' ' LEU . 67.3 m-85 -111.74 94.47 4.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -98.85 114.25 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.98 131.05 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.12 20.05 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.695 ' HE2' HD22 ' A' ' 29' ' ' LEU . 20.3 m-85 -116.94 -43.48 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' ASN . 27.1 p -127.01 33.61 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' CYS . 22.8 t-20 35.11 48.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 19.8 mtpt -105.28 167.02 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 62.9 t -134.73 149.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 35.6 m-85 -144.41 123.94 13.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -61.71 -38.82 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 83.9 m-85 -98.17 140.14 32.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 86.1 tttt -62.95 -51.7 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 24' ' ' SER . 36.5 p-80 -52.72 -46.09 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.1 t -45.5 -54.11 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -61.93 -54.65 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -41.66 -56.52 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.26 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.27 -42.08 72.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.695 HD22 ' HE2' ' A' ' 14' ' ' TYR . 96.0 mt -50.68 -17.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 32' ' ' HIS . 11.9 pt -56.2 -27.16 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.477 ' N ' HG13 ' A' ' 31' ' ' ILE . 97.3 m-70 -88.18 -61.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.2 76.63 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -97.39 151.75 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -124.78 16.84 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -104.23 94.52 6.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.943 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.3 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 78.0 m-85 -65.29 111.76 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -99.65 150.35 22.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.9 t -84.94 134.86 40.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.586 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.79 -30.73 21.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -77.68 -63.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 22.1 p -114.19 -175.42 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.8 m -85.01 28.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' CYS . 20.7 t80 -81.15 126.11 31.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.74 144.8 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 m -138.12 172.81 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.69 -50.01 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 51' ' ' ALA . 13.9 mm -72.12 139.63 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -63.16 -36.8 84.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -73.85 -45.98 47.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.671 ' C ' HD21 ' A' ' 52' ' ' ASN . 0.2 OUTLIER -42.43 -46.07 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 38' ' ' TYR . 58.2 tp -61.13 -45.85 92.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -56.37 -47.65 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.6 -30.96 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -71.33 -50.12 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.586 HD21 ' HD2' ' A' ' 41' ' ' PRO . 37.4 mt -47.37 -38.35 12.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -48.23 -42.46 30.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -52.4 -42.22 63.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.6 87.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -111.29 -29.22 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.43 145.87 9.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.8 111.0 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -51.68 107.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.11 108.61 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.75 128.77 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.4 t -57.84 143.81 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -84.3 -36.01 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -71.81 -48.62 45.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -126.98 177.86 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -90.12 56.05 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -110.35 112.79 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -93.3 126.99 38.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.5 t -120.56 138.04 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.79 -23.15 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 p -113.81 111.37 21.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -53.64 -27.89 29.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.63 -52.13 45.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.55 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.9 t-80 -60.89 -41.73 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.67 -28.99 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -68.33 -52.56 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 79' ' ' HIS . 13.2 p -66.61 -25.33 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -64.24 -39.9 94.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 88' ' ' HIS . 72.5 mt -77.07 -25.6 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.2 mm-40 -83.13 -25.59 31.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 82' ' ' VAL . 10.9 mmm180 -99.91 -49.11 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.7 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.462 ' CE1' ' CB ' ' A' ' 69' ' ' TYR . 97.7 m-70 -79.27 16.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.3 mmtm -155.37 168.59 26.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.06 77.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 91' ' ' ILE . 11.1 tt -78.33 51.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -143.97 114.38 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -69.07 -46.09 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 144.73 14.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -134.87 145.74 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -121.16 173.07 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.31 25.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 14.6 ttpt -154.32 149.13 26.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.37 139.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' CE1' ' HE2' ' A' ' 8' ' ' LYS . 79.5 m-85 -124.74 107.74 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.1 m -92.34 127.21 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -72.6 126.9 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -89.21 30.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.1 m-85 -127.08 -49.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -119.72 19.64 12.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.67 42.53 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' THR . 32.0 mttp -98.24 179.14 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -140.47 144.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -137.83 152.0 48.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -88.38 -40.68 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -99.65 150.14 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -54.49 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -53.54 -37.18 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -53.76 -42.79 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.3 -52.84 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -45.06 -45.16 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CE1' HD11 ' A' ' 31' ' ' ILE . 52.2 t60 -69.72 -42.56 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.0 mt -47.97 -19.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -52.76 -47.77 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 28' ' ' HIS . 7.1 pt -66.61 -21.3 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 60.6 m-70 -89.63 48.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 p -141.72 142.44 33.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -56.58 90.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -145.62 175.12 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.8 mptt -53.41 114.55 6.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 87.1 m-85 -70.23 109.35 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.69 150.24 24.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . 45.1 t -84.54 133.91 43.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -39.31 6.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.396 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' OE1' ' SG ' ' A' ' 40' ' ' CYS . 20.6 mp0 -73.64 -57.67 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 20.8 p -117.64 -175.67 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 p -86.03 25.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.602 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 11.1 t80 -76.17 132.46 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -138.0 150.64 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 p -150.13 125.89 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 -39.4 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mt -87.2 133.9 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 15.7 mtpt -61.87 -61.58 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.88 -44.87 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.04 -46.44 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.4 tp -58.84 -53.55 57.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -45.38 -54.43 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 21.7 t -55.13 -29.01 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 36.5 t60 -81.46 -39.02 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.85 -53.3 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 55' ' ' VAL . 14.2 ptp180 -43.34 -29.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -62.37 -43.88 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -62.16 86.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t -173.11 164.74 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.02 -43.94 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -106.81 110.69 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -114.66 147.46 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.671 ' HB3' HD22 ' A' ' 80' ' ' LEU . 82.9 m-85 -111.71 128.2 56.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 149.99 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 80' ' ' LEU . 38.3 t -81.64 141.79 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -34.44 41.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 83.7 m-85 -77.06 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.35 -177.15 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.9 p -93.13 32.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.437 ' CD2' ' CG ' ' A' ' 83' ' ' HIS . 28.4 t80 -77.03 140.63 40.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.4 p -134.86 135.94 42.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.0 t -137.84 161.78 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.4 41.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 t -168.07 121.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 20.5 pttp -55.05 -38.57 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.24 39.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -51.82 -42.85 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 65' ' ' PHE . 34.0 tp -56.26 -51.44 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -56.58 -50.83 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 86' ' ' ARG . 96.9 t -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CG ' ' CD2' ' A' ' 72' ' ' PHE . 3.6 t60 -53.34 -35.84 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 88' ' ' HIS . 57.4 mt -77.57 -37.77 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 28.9 mt-10 -74.7 -20.82 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.599 ' HG3' HG12 ' A' ' 82' ' ' VAL . 12.8 mmt85 -99.82 -51.79 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 38.9 t -78.32 -57.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 87.4 m-70 -79.09 16.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 18.3 mmtt -155.53 168.09 28.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -52.03 143.01 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.02 101.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -156.62 156.59 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 p -130.26 165.41 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.813 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.74 -58.7 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m 56.66 42.46 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -119.72 97.34 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.83 -84.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -112.0 178.44 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.67 134.04 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.626 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.5 m-85 -95.23 97.86 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' LYS . 72.7 m -105.93 125.39 50.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.51 114.88 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.31 -20.63 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 13.6 m-85 -71.17 -59.83 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASN . 26.2 p -109.26 30.33 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.6 m-20 33.61 46.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 mtpp -99.43 174.45 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.48 133.68 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -127.78 129.43 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 7.9 mtpp -84.16 20.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 51.2 m-85 -152.41 136.69 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -61.88 -54.19 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 13.0 p80 -55.3 -43.24 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -51.69 -45.72 63.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 10' ' ' PHE . 24.6 tp -69.86 -43.94 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -50.86 -55.72 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.71 -24.63 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -74.73 -53.09 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 33' ' ' THR . 52.8 mt -45.68 -21.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -49.76 -27.74 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 32' ' ' HIS . 8.2 pt -85.52 -25.73 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 31' ' ' ILE . 98.9 m-70 -95.55 26.02 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 29' ' ' LEU . 76.1 p -115.42 45.37 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -133.78 116.99 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 1.2 pm0 -163.78 121.63 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 35' ' ' GLU . 2.9 mppt? -149.24 133.46 8.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.79 -51.26 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 26.9 m-85 -69.18 128.93 38.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -126.64 140.05 52.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.28 123.66 88.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.75 6.05 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 11.4 mm100 -117.05 -66.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.5 p -110.26 -174.6 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -83.82 32.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.753 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 5.3 t80 -90.98 118.55 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.06 156.1 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -154.93 145.35 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -79.88 42.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' LYS . 5.1 mt -152.71 172.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' ILE . 13.0 mttp -103.46 -47.3 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.39 -57.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -41.42 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 38' ' ' TYR . 55.2 tp -53.51 -57.12 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.12 -39.56 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -72.35 -55.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.753 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 10.2 t60 -41.47 -41.13 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 41' ' ' PRO . 70.2 mt -51.77 -40.8 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -32.37 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HB3' HD11 ' A' ' 75' ' ' LEU . 86.5 mttt -60.31 -39.29 86.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 42' ' ' GLN . 48.7 m-70 -54.32 -52.31 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 t -76.86 47.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.55 -175.74 26.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -85.83 117.66 24.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -124.58 157.38 35.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -105.39 112.77 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 134.99 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.47 140.82 46.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.86 -42.94 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.423 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 70.4 m-85 -68.16 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.1 p -110.49 -177.02 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 t -99.05 65.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 74' ' ' CYS . 35.2 t80 -110.13 129.59 55.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 p -119.97 128.77 53.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t -136.31 172.64 12.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 59' ' ' LYS . 4.4 mp -113.68 47.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -168.84 110.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -48.57 -36.63 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.54 92.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.83 -32.81 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -66.46 -35.71 80.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -70.32 -63.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 86' ' ' ARG . 14.5 p -49.94 -23.41 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -74.07 -43.56 57.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.57 -21.88 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 35.0 mm-40 -92.83 -23.07 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 82' ' ' VAL . 5.1 mmp_? -99.68 -50.56 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.36 -60.0 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.5 m-70 -76.73 13.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 24.4 mmtm -153.35 138.69 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -134.44 78.94 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.7 pt -88.66 131.32 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -171.48 112.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -125.56 146.26 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.88 168.6 39.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -161.94 155.72 21.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -158.54 175.93 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.94 143.84 11.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -119.54 136.26 54.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 mt -107.43 143.36 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.531 ' HB3' HD22 ' A' ' 25' ' ' LEU . 72.3 m-85 -108.2 106.33 16.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' LYS . 28.2 m -107.31 126.69 52.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.16 132.28 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -95.38 30.49 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 18.4 m-85 -126.47 -46.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -123.15 21.5 9.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 48.18 46.36 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 11' ' ' THR . 32.2 mttm -99.28 171.45 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 58.2 t -143.67 139.24 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -135.45 144.25 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -69.44 -53.8 17.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 96.8 m-85 -91.61 158.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -75.99 -36.62 59.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 34.4 p80 -56.7 -48.84 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 13.1 p -48.22 -52.48 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.5 tp -66.42 -46.39 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -49.98 -44.48 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.97 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -89.52 -36.53 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.29 -18.35 36.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -48.3 -50.28 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' HIS . 15.7 pt -60.89 -33.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 77.0 m-70 -79.07 9.45 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 p -130.87 157.35 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -58.18 116.61 3.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -39.93 155.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -43.66 127.69 3.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -44.73 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.716 2.277 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 19.7 m-85 -83.02 127.51 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -121.15 145.07 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -78.34 133.75 63.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.65 24.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' OE1' ' CG ' ' A' ' 60' ' ' HIS . 36.7 mt-30 -79.45 -60.08 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.37 -174.88 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.0 m -84.38 23.22 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -76.16 115.35 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.94 139.3 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -127.7 152.14 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.06 -11.77 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.9 mm -122.22 133.9 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 4.9 mmtp -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.0 89.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -42.58 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' HA ' HD12 ' A' ' 57' ' ' LEU . 22.7 t30 -55.51 -40.7 72.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.51 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -55.92 -47.87 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 54' ' ' ASN . 26.1 mt -48.13 -47.82 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -48.45 -28.26 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.26 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CG ' ' OE1' ' A' ' 42' ' ' GLN . 22.2 m-70 -42.15 -46.69 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' HIS . 38.2 p -36.22 -40.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.74 177.88 17.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.46 148.17 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -125.7 143.46 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 80' ' ' LEU . 87.5 m-85 -117.24 111.09 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.88 136.16 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.8 t -64.96 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.25 -23.45 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 40.8 m-85 -87.43 -52.19 5.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -118.42 -177.45 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -93.75 34.4 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -80.45 123.93 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -112.82 136.38 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.94 173.67 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.24 36.64 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.4 p -170.78 116.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -43.62 -52.1 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.91 -63.79 1.87 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -43.07 -50.42 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' PHE . 5.8 tp -53.94 -51.3 64.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -57.18 -59.17 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 -26.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.479 ' ND1' HG21 ' A' ' 87' ' ' VAL . 7.3 t60 -66.36 -36.01 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -77.48 -29.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.454 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.6 mm-40 -81.82 -21.86 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -99.93 -47.21 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' ND1' ' A' ' 83' ' ' HIS . 52.3 t -77.87 -63.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.7 m-70 -78.97 18.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 10.4 mmtp -155.49 168.76 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 tttp 63.05 26.08 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.9 mm -118.17 132.27 68.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -54.45 174.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -109.17 -51.75 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.3 -165.48 34.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -146.52 165.92 28.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -162.23 164.06 27.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.29 122.31 6.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -54.38 -176.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.96 142.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -109.83 108.41 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 17' ' ' LYS . 91.4 m -108.1 125.28 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.97 132.97 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -96.64 32.25 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -130.44 -35.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -130.55 11.35 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 23.5 t30 54.42 47.39 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.854 ' O ' HG23 ' A' ' 11' ' ' THR . 28.0 mttp -102.36 -177.76 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.88 145.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -141.25 130.77 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.59 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.48 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 39.2 m-85 -105.16 154.8 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -75.78 -51.07 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 29.7 p80 -48.28 -43.43 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -52.76 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.03 -41.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 44.3 mt-30 -57.26 -50.22 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' C ' ' HD3' ' A' ' 30' ' ' ARG . . . -69.49 -20.55 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.2 t60 -78.98 -53.34 7.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' HIS . 26.1 mt -37.42 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' HIS . 1.5 mpt_? -52.12 -55.24 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -47.31 -23.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 31' ' ' ILE . 74.1 m-70 -89.83 -56.73 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 p -70.07 177.85 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.13 84.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -49.72 152.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.85 137.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 49.0 m-85 -69.9 129.42 39.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.57 148.39 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' TYR . 49.0 t -75.96 128.76 82.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.66 8.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -110.59 -61.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.5 p -114.53 -176.1 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -83.53 37.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' CYS . 8.7 t80 -93.65 115.62 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.18 38.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -138.97 153.27 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.45 -27.6 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' ALA . 29.4 mm -106.38 126.09 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 5.9 mmmt -49.68 -41.82 44.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -64.07 -43.71 94.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.28 -39.85 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.31 -36.41 76.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -64.98 -27.55 68.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 51' ' ' ALA . 57.7 t -79.57 -33.96 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -67.56 -42.49 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -54.24 -37.28 64.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -55.21 -19.74 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -74.17 -45.6 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -53.55 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 t -57.24 143.22 40.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.88 -160.41 21.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' PHE . 9.1 pt-20 -122.47 -178.7 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.961 0.41 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.629 ' HD2' HG21 ' A' ' 73' ' ' THR . 7.8 ttpp -84.3 130.02 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 80' ' ' LEU . 12.9 m-85 -116.23 119.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.85 34.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.78 138.92 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.09 -36.9 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.7 m-85 -75.28 -59.64 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 p -108.54 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -98.32 31.94 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -78.24 139.98 38.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.629 HG21 ' HD2' ' A' ' 64' ' ' LYS . 2.4 p -132.65 143.15 49.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 t -145.04 147.69 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 75' ' ' LEU . 3.7 mm? -75.88 -6.31 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -125.78 127.92 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 13.0 ptmt -68.72 -36.86 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 77' ' ' LYS . . . -56.32 -39.7 83.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' O ' HG12 ' A' ' 82' ' ' VAL . 6.2 t-80 -72.56 -36.34 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 65' ' ' PHE . 17.7 tp -59.31 -35.48 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -56.2 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 79' ' ' HIS . 7.4 p -59.0 -38.22 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.5 ' HD1' HG21 ' A' ' 87' ' ' VAL . 7.9 t60 -51.71 -40.81 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.78 -19.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 89' ' ' LYS . 19.8 mt-10 -93.21 -22.93 18.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -100.55 -47.57 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.5 HG21 ' HD1' ' A' ' 83' ' ' HIS . 44.5 t -78.2 -62.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 83.9 m-70 -71.63 -35.51 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -112.59 155.52 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -128.52 144.47 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 tt -116.74 149.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -162.42 157.61 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.881 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -159.16 173.2 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.61 169.11 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -146.33 177.66 8.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -166.53 177.67 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.34 -155.81 27.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -124.35 150.13 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' CG2' HG13 ' A' ' 18' ' ' VAL . 23.2 mt -109.18 141.3 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -114.45 94.42 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 17' ' ' LYS . 7.4 m -84.62 144.33 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.6 t -91.1 124.5 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -88.1 34.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 5.7 m-85 -130.66 -42.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -130.48 27.8 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 41.28 45.26 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 11' ' ' THR . 20.7 mtpt -100.02 176.59 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 9' ' ' ILE . 57.8 t -139.22 128.76 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -124.73 115.71 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG3' ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.52 -13.94 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 87.8 m-85 -118.87 145.03 46.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.32 -52.79 16.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 7.3 p80 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -53.48 -43.62 68.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.56 -48.0 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -47.2 -61.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.08 -40.48 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' LEU . 17.9 t60 -60.8 -54.69 42.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' HIS . 24.6 mt -34.83 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -45.66 -49.05 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 28' ' ' HIS . 2.0 pp -49.69 -34.69 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 74.2 m-70 -73.86 -52.56 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 121.66 31.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -172.49 -179.53 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -137.08 137.26 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -138.21 113.24 8.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 29.4 m-85 -71.49 101.66 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.76 132.12 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.2 t -65.09 122.79 81.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.28 5.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.48 -57.13 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 19.3 p -120.74 -175.73 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 m -83.89 33.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 8.1 t80 -92.9 116.17 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.12 146.08 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -145.23 161.7 38.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.9 -20.29 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.15 126.73 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 6.2 mmtp -56.34 -52.1 65.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.0 -52.85 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -47.1 -45.59 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -53.11 -43.54 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.3 -36.24 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.28 -54.86 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -39.34 -37.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -44.45 -51.89 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' THR . 66.6 mttt -46.75 -49.65 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -52.71 86.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' LYS . 34.4 p -114.23 171.67 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 80.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -141.25 165.0 28.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -99.11 154.09 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -111.89 109.48 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.82 127.28 38.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.6 t -53.69 141.99 24.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.42 -40.66 50.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 50.5 m-85 -68.78 -58.08 4.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -113.66 -176.4 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -100.67 70.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 42.0 t80 -120.42 119.06 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -103.04 135.73 44.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.1 t -136.67 171.4 14.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.77 43.63 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -167.44 151.96 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -81.15 -50.51 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.31 -43.77 98.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -52.24 -42.25 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 67' ' ' CYS . 49.6 tp -59.67 -55.22 37.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -52.51 -51.33 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.31 -41.48 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.58 -41.96 86.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.6 mt -71.54 -22.91 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 25.1 mt-10 -93.14 -21.47 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.69 -23.76 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.7 t -102.61 -64.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 89.7 m-70 -71.43 -11.45 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -135.0 45.11 2.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -76.09 -23.06 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 mm -53.79 124.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -149.12 154.39 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -125.28 -60.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.61 175.02 33.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -159.18 137.39 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -100.73 81.74 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 161.66 23.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.96 179.21 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.4 mt -138.17 139.84 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.49 95.97 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -94.9 100.7 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LYS . 5.8 t -42.15 115.17 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -86.2 32.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 83.8 m-85 -127.59 -42.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -126.74 25.55 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 t-20 47.01 46.11 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' CYS . 18.4 mtpt -107.8 170.1 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -133.71 135.61 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CZ ' ' CD2' ' A' ' 28' ' ' HIS . 44.5 m-85 -130.26 132.24 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE2' ' CZ ' ' A' ' 21' ' ' PHE . 22.4 ttpt -73.07 -35.25 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 3.2 m-85 -103.39 138.61 39.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -64.08 -52.21 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 14.1 p80 -53.29 -45.13 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -50.72 -39.43 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.47 -40.79 56.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -52.29 -45.29 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -76.89 -13.2 60.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t60 -93.0 -15.81 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' HIS . 39.3 mt -81.67 -34.28 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.36 -32.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 32' ' ' HIS . 2.2 pt -70.3 -38.47 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.2 m-70 -74.55 -61.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -79.64 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -168.6 149.09 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -132.51 -42.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' A' ' 48' ' ' ALA . 50.0 mmtt -142.78 153.33 61.1 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 -38.44 7.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 83.2 m-85 -84.33 118.71 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -115.47 148.35 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.7 t -84.8 121.87 74.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.09 4.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -108.82 -54.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.21 -174.59 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -82.4 38.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 7.8 t80 -95.09 128.48 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.39 141.54 35.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.2 m -142.57 127.23 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . -44.09 -48.08 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -88.14 134.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -65.92 -43.9 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.98 -55.21 7.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -53.66 -52.7 59.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.5 -50.16 68.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -45.9 -43.12 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.98 -36.05 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 28.7 t60 -60.44 -42.58 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.9 mt -52.67 -44.43 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 61' ' ' THR . 0.2 OUTLIER -46.9 -39.97 13.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -54.26 -39.72 67.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -62.3 83.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ARG . 8.3 p -126.24 174.51 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.6 -116.87 1.87 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -124.82 128.91 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.958 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -99.72 155.23 17.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.03 105.44 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.18 130.86 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.2 t -57.99 134.23 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.49 -32.01 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 37.5 m-85 -84.99 -67.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -97.53 -176.75 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.0 t -97.33 40.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 24.3 t80 -88.43 119.11 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -101.94 135.45 43.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.456 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 39.9 t -131.85 157.25 44.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -78.82 -41.99 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -94.47 161.41 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -86.75 -62.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.51 -52.67 2.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -46.85 -57.24 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 67' ' ' CYS . 28.2 tp -42.59 -52.76 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -53.05 -52.4 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.62 -37.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' HG21 ' A' ' 87' ' ' VAL . 3.8 t60 -63.26 -38.62 91.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 80.7 mt -75.74 -20.43 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.1 -23.77 18.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -99.7 -47.31 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.461 HG21 ' ND1' ' A' ' 83' ' ' HIS . 38.5 t -77.21 -63.06 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.437 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 84.0 m-70 -72.02 -35.88 69.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 168.91 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.12 131.63 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 91' ' ' ILE . 2.6 pp -112.16 151.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -175.02 159.94 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -172.82 156.37 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.6 -172.81 45.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -105.49 163.36 12.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -131.23 -64.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.52 -173.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -134.46 162.15 33.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -129.86 141.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 50.4 m-85 -103.28 100.82 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.2 m -108.03 132.26 53.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 t -77.39 149.9 35.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -100.67 -15.26 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -79.88 -52.61 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASN . 21.3 p -114.91 26.16 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 49.7 m-80 35.28 43.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.682 ' O ' HG23 ' A' ' 11' ' ' THR . 25.5 mttt -93.2 175.91 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.01 146.05 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -143.6 115.05 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -47.81 -50.47 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -95.38 159.81 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 23.2 ttpt -79.19 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -44.12 -32.17 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 m -66.67 -40.24 88.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -72.96 -43.72 61.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -51.88 -51.63 55.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -26.98 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.4 t60 -71.27 -50.91 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.3 mt -40.82 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.2 mtm180 -52.91 -47.51 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 28' ' ' HIS . 5.3 pt -58.48 -23.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.8 m-70 -88.57 -38.26 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.9 p -95.92 86.66 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 33.1 p-10 -166.89 170.18 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 9.8 pt-20 46.44 45.34 13.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 46' ' ' ALA . 8.0 mtmp? -128.51 109.85 19.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.74 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 28.5 m-85 -75.55 130.89 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -131.26 149.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.8 t -101.46 114.02 65.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.15 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.394 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 4.1 mm-40 -99.78 -64.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' TYR . 26.9 p -118.34 41.95 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m 39.63 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' CYS . 5.0 t80 -78.76 118.22 20.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.444 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . -119.69 147.44 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 t -148.75 149.11 30.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -78.45 44.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' ALA . 2.7 mt -154.99 161.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -98.96 -46.16 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.95 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -40.09 -46.27 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 38' ' ' TYR . 18.6 tp -66.24 -56.84 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.65 -42.55 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.17 -48.05 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -51.6 -45.29 63.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.95 -47.65 64.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -45.04 -45.1 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -47.0 -34.89 6.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 42' ' ' GLN . 79.0 m-70 -69.36 94.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.4 p -133.24 104.66 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.86 -147.43 4.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -117.16 125.19 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -82.91 112.6 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 28.9 m-85 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.95 127.26 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.492 ' HA ' HD11 ' A' ' 80' ' ' LEU . 40.1 t -56.37 152.73 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -86.79 -43.32 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.5 m-85 -69.84 -46.42 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.0 p -117.53 177.68 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -96.83 37.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 40.1 t80 -80.05 155.45 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 p -139.28 139.66 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 28.3 p -142.95 -177.69 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 74' ' ' CYS . 9.3 mp -121.86 41.86 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -173.82 108.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 28.2 pttt -45.85 -46.91 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.42 49.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -49.96 -45.15 51.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 67' ' ' CYS . 8.7 tt -57.84 -56.43 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -43.14 -39.75 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.2 t -78.54 -42.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -54.49 -37.81 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 80' ' ' LEU . 38.9 mt -76.96 -22.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 80.9 mt-10 -93.4 -20.77 20.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -100.35 -39.42 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.1 -64.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.4 m-70 -71.75 -36.76 70.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -108.9 42.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -24.35 35.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 6.8 tt -95.34 31.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -128.15 135.27 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 m -148.57 144.34 27.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.22 132.07 10.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -152.69 174.76 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -102.75 78.62 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.16 137.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' C ' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -157.21 -175.67 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.697 0.284 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' C ' ' A' ' 8' ' ' LYS . 55.0 mt -151.86 136.24 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' HB3' HD22 ' A' ' 25' ' ' LEU . 80.0 m-85 -100.42 115.14 29.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -108.48 121.89 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.52 120.72 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.91 30.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -124.6 -42.86 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -129.08 26.31 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 44.96 52.76 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -110.39 170.3 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -137.59 135.45 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -133.74 115.77 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -54.26 -47.31 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.49 152.12 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -75.03 -52.99 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -52.48 -37.34 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -58.42 -43.7 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 10' ' ' PHE . 9.8 tp -70.37 -55.87 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -39.52 -53.79 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -64.59 -51.6 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.69 -25.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -49.02 -42.55 38.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 pt -55.27 -26.99 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -87.66 -55.74 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 p -70.51 94.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -119.46 85.89 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -118.95 -57.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 127.4 58.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 65.5 m-85 -75.6 107.03 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -109.29 141.35 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.0 t -74.59 121.69 85.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -105.9 -58.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.87 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -82.56 44.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.485 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.0 t80 -103.38 122.57 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.51 155.33 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 p -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.63 -38.61 6.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -103.29 131.87 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 38' ' ' TYR . 8.5 ptpt -64.99 -43.2 93.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.06 -43.31 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -66.57 -38.88 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.01 -47.35 80.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -46.81 -45.07 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.62 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -61.74 -54.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.3 mt -41.82 -42.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -44.72 -44.38 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -48.35 -50.16 31.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -50.84 97.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.9 p -142.27 163.86 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.4 70.32 0.96 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -139.28 161.87 36.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -68.61 126.58 30.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -105.73 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.05 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' CYS . 13.6 t -63.15 144.08 57.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -76.68 -38.54 54.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 31.3 m-85 -75.29 -47.4 28.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 20.9 p -121.68 -177.68 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -97.55 47.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -96.11 117.28 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -100.77 133.55 45.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 30.2 t -129.92 147.53 51.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.82 -40.72 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 p -97.76 177.39 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.16 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.92 -56.98 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -48.08 -47.99 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.78 -55.29 36.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -50.55 -49.92 54.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.43 -43.27 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.5 t60 -51.23 -39.12 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 59.8 mt -75.68 -17.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 89' ' ' LYS . 45.6 mt-10 -93.2 -25.11 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -100.6 -44.13 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.418 HG21 ' ND1' ' A' ' 83' ' ' HIS . 53.8 t -77.25 -63.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 88.9 m-70 -71.12 -26.44 63.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 4.8 mtpt -129.71 177.75 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -160.89 123.09 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.49 107.31 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 63.7 m-85 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.937 0.399 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -104.73 135.16 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HG ' ' HD1' ' A' ' 14' ' ' TYR . 46.5 t -83.85 122.67 29.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 11.3 pt-20 -85.59 32.95 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.4 m-85 -126.99 -51.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -122.46 23.02 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.5 t30 47.56 44.35 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -97.68 171.81 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.53 138.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 2.1 m-85 -134.48 128.84 34.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . 90.1 m-85 -87.95 169.22 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 41.0 tttm -87.22 -53.62 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 21' ' ' PHE . 6.7 p80 -48.21 -33.26 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 10' ' ' PHE . 27.9 tp -62.66 -47.12 85.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -51.42 -61.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -56.42 -34.23 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.15 -44.86 94.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -50.49 -17.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 1.9 mmp_? -48.25 -51.47 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -64.5 -19.45 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 65.3 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.666 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.555 0.693 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -41.03 4.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 70.2 m-85 -91.65 114.0 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -111.59 149.81 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.48 133.49 38.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.92 9.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.84 -175.74 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 29.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -77.18 120.41 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -132.91 149.51 52.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -156.89 133.32 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -54.76 -31.81 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 50' ' ' LYS . 12.0 mt -72.68 159.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 49' ' ' ILE . 3.3 mptt -94.8 -50.3 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -58.73 -53.59 56.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.0 t-20 -35.71 -46.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 38' ' ' TYR . 43.9 tp -62.16 -55.2 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -44.94 -49.6 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.95 -43.79 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -55.95 -52.59 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.5 mt -45.22 -46.12 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -48.57 -34.33 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' O ' HD11 ' A' ' 75' ' ' LEU . 54.5 mttm -56.27 -35.65 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.79 0.329 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 33.8 m-85 -115.16 107.2 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.26 141.68 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.832 ' HA ' HD11 ' A' ' 80' ' ' LEU . 21.7 t -70.2 138.03 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.08 -35.49 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.44 -58.1 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -111.28 -177.22 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -95.53 39.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.22 122.55 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -106.8 137.64 44.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.75 149.83 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 59' ' ' LYS . 3.8 mm? -65.8 -40.51 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 m -99.03 172.62 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 65.3 tttt -98.17 -51.99 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.98 -38.9 25.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -60.85 -45.12 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' HA ' ' A' ' 67' ' ' CYS . 21.2 tp -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.63 -46.8 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.06 -32.34 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.64 -29.05 70.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.15 -25.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 23.3 mt-10 -88.01 -20.37 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -100.09 -44.58 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 t -81.47 -62.25 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -75.97 10.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 47.8 mmtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.943 0.401 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.2 m -86.69 137.55 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.0 t -86.04 119.1 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.93 19.0 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.702 ' CE2' HD22 ' A' ' 29' ' ' LEU . 14.0 m-85 -115.31 -37.16 4.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.52 27.02 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 39.67 50.7 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 11' ' ' THR . 28.1 mttp -105.84 170.89 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.31 128.09 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -122.21 160.76 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 42.3 tttt -102.45 -39.02 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 47.7 m-85 -98.84 145.44 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -66.16 -57.46 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -51.47 -39.43 57.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -54.14 -50.27 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.6 tp -72.73 -47.89 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -47.52 -46.04 27.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.48 -16.24 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -85.42 -42.84 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 14' ' ' TYR . 32.9 mt -54.41 -17.12 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -50.04 -44.54 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.93 -24.46 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . 92.8 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CZ ' ' CG ' ' A' ' 50' ' ' LYS . 42.4 m-85 -75.38 118.4 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 145.94 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.89 132.57 50.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.8 Cg_endo -69.73 -28.22 25.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -77.53 -61.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -174.99 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -83.57 21.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.9 t80 -77.68 128.44 34.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.53 151.47 51.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -139.55 167.17 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.9 -18.58 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.28 127.69 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 7.1 mtpm? -58.78 -43.05 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.83 98.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -59.75 -44.56 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.83 -33.52 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.19 -40.97 97.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.95 -39.81 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -58.1 -53.52 57.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' A' ' 41' ' ' PRO . 87.2 mt -41.73 -37.34 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.26 -44.13 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -48.31 -44.6 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.26 107.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.71 129.78 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 t -62.76 142.79 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.02 -41.04 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.6 m-85 -68.51 -47.59 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 p -126.05 -179.26 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 m -96.91 69.14 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 50.3 t80 -117.49 129.9 56.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.5 p -118.57 133.49 55.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.3 t -140.79 141.94 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.23 43.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 m -161.6 144.31 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -79.41 -50.09 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.49 94.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -54.99 -42.26 72.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.31 -57.24 13.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -49.09 -55.81 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.3 -35.32 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.16 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -89.6 -27.31 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -83.36 -22.19 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LYS . 18.1 mmt85 -99.49 -50.95 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -75.9 -61.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.1 m-70 -77.19 12.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' ARG . 32.2 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 61.2 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.6 m -91.11 121.66 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.71 124.96 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.68 27.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.529 ' CB ' ' CD2' ' A' ' 32' ' ' HIS . 4.1 m-85 -123.77 -41.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.51 30.7 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 25.2 t-20 40.31 47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 11' ' ' THR . 33.3 mttm -104.16 -179.12 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.58 145.8 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' A' ' 25' ' ' LEU . 40.1 m-85 -142.92 121.44 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -59.77 -42.17 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.46 148.93 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.47 -51.37 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -59.41 -32.56 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -58.07 -50.35 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 19' ' ' PHE . 22.6 tp -64.24 -58.4 6.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.0 mm-40 -34.86 -57.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -37.6 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.3 t60 -66.12 -51.75 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -38.12 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' HIS . 69.0 mtm180 -53.33 -48.4 68.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -44.74 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.529 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 85.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.615 0.722 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -51.4 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' HB3' HD22 ' A' ' 53' ' ' LEU . 89.3 m-85 -71.23 108.42 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -105.56 149.03 26.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -88.39 119.47 70.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -93.83 -53.18 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -128.41 -177.36 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -81.85 40.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 17.3 t80 -100.17 130.37 46.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.03 139.82 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -133.72 157.04 46.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.63 -44.63 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -86.09 141.69 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -61.77 -59.98 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.68 -54.67 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -40.35 -53.04 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 38' ' ' TYR . 19.5 tp -56.13 -51.95 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -48.47 -36.78 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.08 -28.73 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.435 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 22.1 t60 -85.26 -31.64 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.24 -46.32 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -50.8 -17.53 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -75.25 -43.19 52.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.3 mttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 63.4 m-85 -99.77 107.51 19.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.46 141.57 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.36 143.6 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -46.11 65.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -67.06 -62.82 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.8 p -104.53 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -100.89 40.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 6.8 t80 -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -107.2 139.87 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 26.4 p -144.03 167.53 22.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.49 42.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -172.44 118.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.4 tptp -55.31 -47.77 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.1 92.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -59.75 -27.04 66.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.07 -46.29 52.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.79 -52.57 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.91 -24.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.7 mt -75.72 -18.08 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -93.42 -25.35 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -98.39 -43.69 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.21 -63.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.51 2.42 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.5 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' LYS . 12.7 m -101.04 146.83 26.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -92.15 131.81 37.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.58 27.64 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 75.5 m-85 -126.34 -38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.1 26.87 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.07 46.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' THR . 28.9 mttm -100.66 176.39 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 97.0 t -139.06 148.55 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 24.8 m-85 -144.24 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -82.39 -40.92 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -100.91 145.42 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.93 -62.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 11.4 p-80 -42.75 -42.12 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -57.25 -40.8 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 10' ' ' PHE . 16.7 tp -74.04 -44.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -52.41 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -66.21 -38.39 87.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.16 -12.7 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -54.62 -43.06 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.49 -21.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 89.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.56 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.91 121.78 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.663 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 6.6 mtmp? -124.26 147.03 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.79 124.73 89.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.64 3.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -111.58 -55.2 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.79 -174.82 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -84.41 28.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 5.4 t80 -85.04 119.75 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -136.38 156.6 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 t -161.12 133.88 6.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.85 -30.77 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.44 149.41 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -79.0 -56.3 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -49.15 -56.0 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.053 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 4.8 t-20 -35.78 -51.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.87 -42.23 99.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 41.7 m-20 -62.1 -40.95 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.07 -23.29 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -80.78 -42.19 22.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.83 -47.31 74.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 64' ' ' LYS . 41.9 mtt-85 -44.85 -29.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -65.51 -46.72 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 18.5 mttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.836 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -115.94 113.5 23.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.51 150.68 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.467 ' HA ' HD11 ' A' ' 80' ' ' LEU . 53.8 t -77.23 136.44 38.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.88 -34.06 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 51.8 m-85 -77.62 -68.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.8 p -92.9 -175.16 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 m -101.38 30.29 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 49.7 t80 -73.93 156.76 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 72' ' ' PHE . 68.3 p -143.99 137.5 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 27.3 p -142.97 -177.44 5.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.98 45.44 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -167.34 130.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -57.96 -62.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.46 -49.67 38.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.29 -38.12 18.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 67' ' ' CYS . 48.8 tp -67.79 -41.44 83.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -63.74 -58.4 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.99 -25.41 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.675 ' O ' HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -67.94 -48.3 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 84' ' ' ILE . 60.6 mt -67.08 -15.26 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.41 -33.66 13.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -98.48 -12.98 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 83' ' ' HIS . 47.7 t -102.91 -66.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 96.7 m-70 -77.75 -34.65 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' HB3' HD22 ' A' ' 25' ' ' LEU . 48.6 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.953 0.406 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -97.52 112.79 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.9 t -54.97 127.55 29.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.4 28.81 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CE1' ' CD2' ' A' ' 29' ' ' LEU . 76.9 m-85 -123.24 -45.22 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -125.61 25.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 28.0 t30 46.24 43.67 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' CYS . 23.2 mttm -101.6 165.4 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.97 139.93 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -133.85 152.39 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.4 -39.71 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 7.2 m-85 -102.43 151.39 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 3.4 p-80 -42.11 -45.91 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -51.46 -47.23 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.2 tp -69.49 -48.14 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -51.62 -53.63 36.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.29 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -75.66 -22.99 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' ' CE1' ' A' ' 14' ' ' TYR . 43.5 mt -70.61 -7.92 47.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.27 -49.56 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD12 ' CB ' ' A' ' 44' ' ' SER . 27.4 pt -61.67 -23.46 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.3 mppt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 58.6 m-85 -72.56 120.44 18.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -109.6 150.28 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.3 130.16 72.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 -3.92 12.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -108.23 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.8 p -112.73 -174.75 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.432 ' CB ' HD12 ' A' ' 31' ' ' ILE . 68.3 m -83.96 24.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 30.0 t80 -81.86 128.48 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -129.8 145.7 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -137.44 136.66 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' H ' ' A' ' 51' ' ' ALA . 21.7 mm -101.73 125.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 6.0 mtmp? -56.08 -35.27 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.51 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -65.16 -40.95 95.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -64.95 -35.6 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.1 -45.74 83.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.16 -45.23 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.76 -40.48 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.75 -49.78 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' A' ' 41' ' ' PRO . 78.8 mt -44.54 -42.94 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -45.55 -42.32 10.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -50.5 -45.85 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 27.1 m-85 -97.52 110.74 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.57 148.15 28.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.5 t -77.84 138.72 39.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.24 -44.48 65.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 59.4 m-85 -69.63 -61.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.17 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.2 m -95.6 40.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -84.91 149.17 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -131.63 138.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 75' ' ' LEU . 34.8 t -132.63 161.0 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' N ' ' SG ' ' A' ' 74' ' ' CYS . 3.9 mm? -83.03 -42.61 17.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.4 p -90.59 -179.86 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -112.61 -15.52 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.41 -29.11 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -73.3 -34.21 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 tp -61.84 -41.32 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -65.07 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.21 -24.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.95 -31.79 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 68.3 mt -79.77 -31.71 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -80.04 -21.32 43.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' LYS . 3.7 mmp_? -99.4 -48.91 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.52 -60.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 94.6 m-70 -77.85 14.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' ARG . 21.3 mttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' HB3' HD22 ' A' ' 25' ' ' LEU . 51.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.953 0.406 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 17' ' ' LYS . 11.4 m -85.45 145.41 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.82 128.16 38.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 6.2 pt-20 -92.0 34.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 16.7 m-85 -131.13 -40.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.1 p -131.28 25.63 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.48 52.18 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' THR . 34.6 mttm -108.07 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -137.31 135.13 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -134.02 115.21 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -59.48 -25.36 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 20' ' ' LYS . 87.9 m-85 -98.77 155.69 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.21 -39.75 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -65.5 -39.34 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -53.92 -58.47 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 23.4 tp -53.23 -51.78 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -54.2 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.59 61.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -79.6 -44.36 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -47.67 -23.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -50.34 -47.38 55.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' H ' HG23 ' A' ' 31' ' ' ILE . 9.4 pt -49.17 -29.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.442 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 67.5 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 mttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.545 0.688 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.96 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 68.8 m-85 -71.03 106.55 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.51 148.21 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' TYR . 48.9 t -80.08 119.29 76.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.21 5.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -109.05 -43.96 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.12 -176.42 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -81.89 43.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 7.7 t80 -100.57 122.94 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.41 151.84 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -162.17 118.87 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.56 -42.88 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.506 HD12 ' ND2' ' A' ' 52' ' ' ASN . 29.4 mt -69.05 139.02 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -74.13 -59.44 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.56 -36.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.506 ' ND2' HD12 ' A' ' 49' ' ' ILE . 6.7 m-20 -55.68 -58.38 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.44 -42.54 43.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.54 -41.15 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.07 -18.8 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 39.4 t60 -90.52 -43.02 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -55.52 -54.8 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -40.41 -35.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -56.53 -44.88 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 80' ' ' LEU . 31.7 m-85 -66.57 123.93 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 132.4 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.02 147.55 38.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -41.33 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 78.6 m-85 -67.91 -41.04 83.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.67 -179.98 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.4 p -96.32 63.66 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 30.8 t80 -111.21 121.59 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -107.14 131.96 53.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 22.2 p -139.33 151.62 46.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.22 45.3 0.99 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 114.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -43.91 -51.86 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.81 -50.35 44.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.3 -36.51 42.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 65' ' ' PHE . 20.5 tp -70.97 -33.09 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -73.78 -52.64 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.0 -21.22 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -72.7 -40.12 66.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 88' ' ' HIS . 46.4 mt -77.1 -26.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -83.01 -24.09 33.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -99.53 -48.88 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.93 -58.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.5 m-70 -80.15 16.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.6 mmtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.897 0.379 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' LYS . 20.8 m -104.73 143.64 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 29' ' ' LEU . 11.3 t -89.84 127.07 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.08 17.68 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' HD22 ' A' ' 29' ' ' LEU . 21.8 m-85 -114.43 -38.49 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -127.49 13.44 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 m120 49.06 54.55 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 11' ' ' THR . 23.8 mttt -111.8 168.9 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 78.8 t -132.42 145.11 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 25' ' ' LEU . 12.0 m-85 -139.03 169.47 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -106.28 -40.05 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 95.1 m-85 -96.21 141.02 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -63.57 -51.89 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 21.6 p-80 -58.43 -43.01 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -46.4 -58.65 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.765 HD13 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -69.2 -46.51 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -45.2 -45.97 11.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -24.17 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 31' ' ' ILE . 15.9 t60 -77.53 -45.24 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 14' ' ' TYR . 71.7 mt -50.17 -17.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 13.0 mtp-105 -55.9 -48.46 75.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -58.73 -22.53 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 8.4 mptt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' HB3' HD22 ' A' ' 53' ' ' LEU . 99.0 m-85 -73.97 126.92 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -133.24 146.7 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.18 130.85 85.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 0.83 5.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -114.01 -43.02 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.99 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -76.92 47.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 4.9 t80 -95.03 120.45 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -131.88 138.24 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.2 m -129.42 -10.5 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 47' ' ' SER . . . 69.61 25.07 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 48' ' ' ALA . 20.9 mt -150.11 145.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 18.0 mttm -72.74 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.96 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.42 -56.62 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.9 tp -46.12 -51.94 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -50.98 -39.15 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.58 -33.18 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.647 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 24.1 t60 -64.91 -49.44 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD21 ' HD2' ' A' ' 41' ' ' PRO . 64.0 mt -46.7 -45.31 19.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.96 -38.36 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -52.68 -47.62 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.43 126.01 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.71 146.86 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.53 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.7 t -78.68 135.58 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.79 -38.05 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.446 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.7 m-85 -68.44 -58.31 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.75 -179.26 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 t -98.07 67.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -115.62 153.5 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -138.01 143.77 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.4 p -143.64 -176.88 5.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.71 44.28 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -170.85 116.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -49.98 -43.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.67 96.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -53.6 -44.91 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 67' ' ' CYS . 23.6 tp -54.3 -55.33 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -50.57 -52.19 41.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.49 -42.22 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.817 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -54.89 -45.08 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 84' ' ' ILE . 82.0 mt -69.32 -9.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 89' ' ' LYS . 85.9 mt-10 -93.02 -34.38 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' LYS . 93.6 mtt180 -100.02 -47.56 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.817 HG21 ' ND1' ' A' ' 83' ' ' HIS . 63.9 t -61.13 -69.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.446 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 97.5 m-70 -73.1 -35.63 66.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 86' ' ' ARG . 9.1 mptt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.949 0.404 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.0 m -100.81 147.31 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -95.73 129.62 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.38 33.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.407 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 30.2 m-85 -130.05 -39.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.22 25.02 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.72 46.99 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' THR . 18.8 mtpt -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 86.5 t -143.78 150.1 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 3.2 m-85 -144.24 147.02 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -96.81 18.31 14.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -147.56 155.8 42.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -78.67 -48.13 15.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 36.3 p-80 -60.64 -36.59 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.6 p -54.63 -59.72 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' HIS . 20.7 tp -60.07 -61.69 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 12.8 mm100 -36.57 -55.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.99 79.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' ARG . 7.7 t60 -63.4 -56.06 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.0 mt -38.74 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' HIS . 80.5 mtt180 -49.6 -46.39 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 32' ' ' HIS . 6.2 pt -53.28 -24.76 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' ILE . 88.0 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 54.6 m-85 -73.22 115.45 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -112.37 148.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.3 t -82.49 123.04 79.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.36 11.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.56 -58.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 17.8 p -119.82 -174.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -84.36 31.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.8 t80 -90.05 136.75 32.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.76 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 p -164.6 144.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.76 -23.22 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.59 139.81 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 40.0 mttt -58.01 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.04 -49.42 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.62 -48.54 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -54.43 -38.88 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.22 -22.12 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -89.26 -38.53 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.62 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -46.12 -26.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' A' ' 75' ' ' LEU . 27.9 mttt -66.41 -45.33 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.841 0.353 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.94 116.68 32.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.01 134.34 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.9 t -61.63 142.22 57.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.48 -41.56 46.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 60.3 m-85 -68.53 -52.19 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.6 p -117.86 -178.85 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.7 p -100.78 67.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -116.37 122.21 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -105.35 138.28 41.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.5 p -141.57 170.99 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 59' ' ' LYS . 86.8 mt -113.02 41.72 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -47.25 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -38.5 95.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -56.01 -39.97 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 67' ' ' CYS . 19.7 tp -63.68 -55.58 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -49.33 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.94 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -56.07 -38.69 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 12.1 mm-40 -93.33 -22.01 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -98.89 -41.86 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.06 -64.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.9 m-70 -72.2 -31.61 66.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 55.3 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.925 0.393 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.9 m -96.14 142.52 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -88.85 124.22 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -88.38 32.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 13' ' ' GLU . 30.5 m-85 -128.87 -43.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.74 21.36 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 46.09 52.07 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 11' ' ' THR . 27.1 mttt -106.13 172.49 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.88 127.8 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 28' ' ' HIS . 56.5 m-85 -124.69 119.96 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -65.11 -38.82 91.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -94.94 153.65 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 9.8 ttmt -69.3 -62.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -48.51 -43.78 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -46.44 -41.39 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 10' ' ' PHE . 20.9 tp -76.37 -55.49 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 22' ' ' LYS . 6.9 mp0 -46.47 -50.79 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 -20.25 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 t60 -82.54 -45.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -49.36 -19.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -49.51 -50.67 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 32' ' ' HIS . 9.8 pt -53.4 -24.2 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 29.6 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.5 m-85 -71.08 102.8 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -104.4 144.53 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -73.12 128.34 87.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.743 2.295 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -112.05 -67.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.56 -174.51 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -83.93 28.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 t80 -85.34 125.72 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -136.89 165.15 26.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 117.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.71 -23.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.04 138.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 17.8 mmtt -67.47 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' LYS . . . -37.47 -50.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -46.64 -45.44 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 38' ' ' TYR . 22.1 tp -68.09 -53.25 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -45.12 -48.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.66 -37.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -58.9 -49.36 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -48.54 -33.96 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -73.82 -26.15 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -72.7 -21.48 61.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.7 109.12 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.58 145.5 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.663 ' HA ' HD11 ' A' ' 80' ' ' LEU . 47.2 t -77.54 141.06 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.06 -44.92 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 55.6 m-85 -66.51 -59.1 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -114.02 -176.15 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 m -99.85 72.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -119.27 130.48 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -117.63 141.03 48.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.9 t -137.96 167.34 21.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.2 mm? -79.3 -41.96 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.6 m -102.19 170.15 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLY . 29.2 tttm -86.82 -54.78 4.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -38.5 -50.9 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.456 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -48.04 -49.1 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 67' ' ' CYS . 35.7 tp -53.98 -56.04 21.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -54.32 -44.6 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.41 -30.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.4 t60 -70.56 -36.28 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -77.61 -30.68 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 5.5 mm-40 -84.37 -19.8 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -100.43 -46.57 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.38 -60.84 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 85.8 m-70 -77.67 14.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 19.6 mmtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.407 ' HB3' HD22 ' A' ' 25' ' ' LEU . 96.5 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.959 0.409 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.3 m -109.05 125.56 52.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 t -69.06 127.02 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.28 27.13 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 38.8 m-85 -122.32 -38.24 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.28 21.51 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 29.4 t30 47.3 48.96 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' HG23 ' A' ' 11' ' ' THR . 21.9 mttt -104.66 170.26 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -134.82 134.3 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 25' ' ' LEU . 34.8 m-85 -130.37 126.54 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -57.41 -49.13 77.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 87.2 m-85 -98.08 156.17 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -74.5 -49.83 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 27.3 p80 -50.85 -46.29 60.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 m -52.6 -45.11 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 10' ' ' PHE . 18.5 tp -67.98 -51.04 51.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -41.87 -61.0 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.68 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 6.4 t60 -60.81 -48.17 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -42.58 -23.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' HIS . 58.3 mtp180 -53.36 -47.07 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -45.72 -22.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 83.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 21.2 mttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.76 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' HD2' ' A' ' 50' ' ' LYS . 67.4 m-85 -82.61 124.19 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.35 145.26 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.82 120.72 82.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.1 Cg_endo -69.75 -3.27 11.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -105.24 -46.73 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.0 p -134.16 -174.8 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -68.67 -22.62 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 21.3 t80 -38.64 134.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -140.78 154.9 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.2 m -143.55 154.25 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -34.71 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mt -94.78 149.45 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' CD1' ' A' ' 38' ' ' TYR . 13.7 tptm -68.63 -53.58 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -54.21 -56.02 22.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 47.8 t-20 -34.9 -52.26 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.98 -54.91 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 57' ' ' LEU . 77.4 m-20 -38.67 -40.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.6 -53.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -47.14 -43.03 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 54' ' ' ASN . 50.4 mt -50.11 -31.59 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -55.98 -36.72 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -118.46 123.18 44.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.62 151.95 18.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HA ' HD11 ' A' ' 80' ' ' LEU . 30.9 t -82.64 141.61 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -72.46 -47.42 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -65.14 -59.64 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.19 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 34.26 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.75 155.61 26.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.1 p -140.77 146.71 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.4 t -144.97 145.39 31.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.96 -38.68 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.0 p -103.48 154.44 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -80.15 -52.71 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.92 -35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -70.37 -36.95 74.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 67' ' ' CYS . 15.2 tp -61.81 -40.62 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -64.13 -58.84 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.87 -30.87 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -63.8 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 63.1 mt -73.74 -20.94 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 62.1 mt-10 -93.93 -22.42 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 mtt-85 -101.58 -24.33 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 83' ' ' HIS . 42.6 t -102.41 -64.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 84' ' ' ILE . 90.5 m-70 -70.69 -9.88 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 35.5 mmtt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.765 ' HB3' HD22 ' A' ' 25' ' ' LEU . 98.0 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.943 0.402 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 95.3 m -104.29 106.15 16.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' LYS . 8.0 t -51.39 134.15 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -97.42 33.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.34 -50.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -109.78 5.7 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 63.17 34.17 13.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' CYS . 33.3 mttt -98.94 161.61 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 5.5 p -141.59 139.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.4 m-85 -125.69 132.27 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.96 -28.04 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.95 158.12 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -81.89 -49.05 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -52.35 -38.4 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -56.98 -60.9 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.2 tp -57.46 -53.19 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -40.36 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.04 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 26.5 t60 -67.65 -54.14 22.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.43 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mtt-85 -50.47 -51.09 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.9 pt -53.53 -24.62 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.462 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 28.1 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.75 -48.84 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.426 ' HB3' HD22 ' A' ' 53' ' ' LEU . 65.5 m-85 -69.47 113.25 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -111.97 149.44 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -82.17 126.3 74.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.77 -4.75 14.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 60' ' ' HIS . 10.0 mt-30 -107.28 -62.44 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 p -112.5 -177.35 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -83.64 35.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 4.1 t80 -89.2 123.5 33.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.22 154.54 46.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -163.51 159.61 22.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -83.55 36.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 48' ' ' ALA . 4.1 mt -148.51 137.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -81.82 -40.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -54.33 48.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -52.56 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 38' ' ' TYR . 31.9 tp -52.61 -56.09 17.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -42.69 -51.25 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' HIS . 57.5 t -64.04 -62.04 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 32.0 t60 -35.28 -47.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.447 HD21 ' HD2' ' A' ' 41' ' ' PRO . 85.7 mt -46.07 -46.68 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 59' ' ' LYS . 5.7 ptm180 -43.68 -42.92 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HE3' ' ND1' ' A' ' 56' ' ' HIS . 42.6 mtmt -49.91 -39.43 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 42' ' ' GLN . 64.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 43.7 m-85 -89.8 112.97 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.52 134.59 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.9 149.77 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.31 -41.25 15.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 9.5 m-85 -71.97 -48.22 46.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.3 p -116.17 -178.63 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -83.08 154.88 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -144.04 144.3 31.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.2 p -139.84 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.5 -42.15 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -110.41 134.34 52.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 26.3 pttt -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.56 -45.24 8.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.4 -48.73 78.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.02 -50.8 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -50.65 -55.3 17.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 86' ' ' ARG . 94.0 t -55.16 -43.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.16 -36.47 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 88' ' ' HIS . 42.8 mt -78.06 -37.7 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mt-10 -74.3 -20.36 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HG3' HG12 ' A' ' 82' ' ' VAL . 20.9 mmt180 -100.01 -52.12 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.0 -58.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.435 ' HB2' HG23 ' A' ' 84' ' ' ILE . 91.1 m-70 -78.57 15.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 39.1 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.611 ' HB3' HD22 ' A' ' 25' ' ' LEU . 67.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -98.85 114.25 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.98 131.05 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.12 20.05 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.695 ' HE2' HD22 ' A' ' 29' ' ' LEU . 20.3 m-85 -116.94 -43.48 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' ASN . 27.1 p -127.01 33.61 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' CYS . 22.8 t-20 35.11 48.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 19.8 mtpt -105.28 167.02 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 62.9 t -134.73 149.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 35.6 m-85 -144.41 123.94 13.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -61.71 -38.82 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 83.9 m-85 -98.17 140.14 32.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 86.1 tttt -62.95 -51.7 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 24' ' ' SER . 36.5 p-80 -52.72 -46.09 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.1 t -45.5 -54.11 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -61.93 -54.65 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -41.66 -56.52 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.26 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.27 -42.08 72.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.695 HD22 ' HE2' ' A' ' 14' ' ' TYR . 96.0 mt -50.68 -17.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 32' ' ' HIS . 11.9 pt -56.2 -27.16 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.477 ' N ' HG13 ' A' ' 31' ' ' ILE . 97.3 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.595 0.712 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.3 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 78.0 m-85 -65.29 111.76 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -99.65 150.35 22.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.9 t -84.94 134.86 40.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.586 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.79 -30.73 21.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -77.68 -63.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 22.1 p -114.19 -175.42 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.8 m -85.01 28.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' CYS . 20.7 t80 -81.15 126.11 31.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.74 144.8 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 m -138.12 172.81 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.69 -50.01 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 51' ' ' ALA . 13.9 mm -72.12 139.63 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -63.16 -36.8 84.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -73.85 -45.98 47.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -42.43 -46.07 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 38' ' ' TYR . 58.2 tp -61.13 -45.85 92.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -56.37 -47.65 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.6 -30.96 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -71.33 -50.12 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.586 HD21 ' HD2' ' A' ' 41' ' ' PRO . 37.4 mt -47.37 -38.35 12.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -48.23 -42.46 30.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -52.4 -42.22 63.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.11 108.61 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.75 128.77 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.4 t -57.84 143.81 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -84.3 -36.01 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -71.81 -48.62 45.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -126.98 177.86 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -90.12 56.05 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -110.35 112.79 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -93.3 126.99 38.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.5 t -120.56 138.04 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.79 -23.15 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 p -113.81 111.37 21.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -53.64 -27.89 29.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.63 -52.13 45.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.55 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.9 t-80 -60.89 -41.73 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.67 -28.99 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -68.33 -52.56 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 79' ' ' HIS . 13.2 p -66.61 -25.33 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -64.24 -39.9 94.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 88' ' ' HIS . 72.5 mt -77.07 -25.6 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.2 mm-40 -83.13 -25.59 31.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 82' ' ' VAL . 10.9 mmm180 -99.91 -49.11 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.7 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.462 ' CE1' ' CB ' ' A' ' 69' ' ' TYR . 97.7 m-70 -79.27 16.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.3 mmtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.1 m -92.34 127.21 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -72.6 126.9 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -89.21 30.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.1 m-85 -127.08 -49.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -119.72 19.64 12.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.67 42.53 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' THR . 32.0 mttp -98.24 179.14 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -140.47 144.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -137.83 152.0 48.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -88.38 -40.68 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 70.8 m-85 -99.65 150.14 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -54.49 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 12.4 p-80 -53.54 -37.18 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -53.76 -42.79 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.3 -52.84 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -45.06 -45.16 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CE1' HD11 ' A' ' 31' ' ' ILE . 52.2 t60 -69.72 -42.56 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.0 mt -47.97 -19.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -52.76 -47.77 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 28' ' ' HIS . 7.1 pt -66.61 -21.3 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 60.6 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.8 mptt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 87.1 m-85 -70.23 109.35 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.69 150.24 24.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . 45.1 t -84.54 133.91 43.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' ' HG ' ' A' ' 40' ' ' CYS . 54.4 Cg_endo -69.73 -39.31 6.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.396 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' OE1' ' SG ' ' A' ' 40' ' ' CYS . 20.6 mp0 -73.64 -57.67 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 20.8 p -117.64 -175.67 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 p -86.03 25.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.602 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 11.1 t80 -76.17 132.46 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -138.0 150.64 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 p -150.13 125.89 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 -39.4 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.539 HD12 ' ND2' ' A' ' 52' ' ' ASN . 26.2 mt -87.2 133.9 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 15.7 mtpt -61.87 -61.58 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.88 -44.87 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.539 ' ND2' HD12 ' A' ' 49' ' ' ILE . 39.1 m-20 -52.04 -46.44 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.4 tp -58.84 -53.55 57.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -45.38 -54.43 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 21.7 t -55.13 -29.01 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 36.5 t60 -81.46 -39.02 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.85 -53.3 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 55' ' ' VAL . 14.2 ptp180 -43.34 -29.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -62.37 -43.88 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.671 ' HB3' HD22 ' A' ' 80' ' ' LEU . 82.9 m-85 -111.71 128.2 56.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 149.99 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 80' ' ' LEU . 38.3 t -81.64 141.79 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -34.44 41.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 83.7 m-85 -77.06 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.35 -177.15 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.9 p -93.13 32.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.437 ' CD2' ' CG ' ' A' ' 83' ' ' HIS . 28.4 t80 -77.03 140.63 40.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.4 p -134.86 135.94 42.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.0 t -137.84 161.78 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.4 41.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 79' ' ' HIS . 4.2 t -168.07 121.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 20.5 pttp -55.05 -38.57 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.24 39.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.452 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 19.4 m-70 -51.82 -42.85 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 65' ' ' PHE . 34.0 tp -56.26 -51.44 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -56.58 -50.83 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 86' ' ' ARG . 96.9 t -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CG ' ' CD2' ' A' ' 72' ' ' PHE . 3.6 t60 -53.34 -35.84 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 88' ' ' HIS . 57.4 mt -77.57 -37.77 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 28.9 mt-10 -74.7 -20.82 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.599 ' HG3' HG12 ' A' ' 82' ' ' VAL . 12.8 mmt85 -99.82 -51.79 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 38.9 t -78.32 -57.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 87.4 m-70 -79.09 16.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 18.3 mmtt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.626 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.918 0.39 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' LYS . 72.7 m -105.93 125.39 50.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.51 114.88 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.31 -20.63 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.401 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 13.6 m-85 -71.17 -59.83 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASN . 26.2 p -109.26 30.33 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.6 m-20 33.61 46.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 mtpp -99.43 174.45 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.48 133.68 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -127.78 129.43 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 7.9 mtpp -84.16 20.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 51.2 m-85 -152.41 136.69 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -61.88 -54.19 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 13.0 p80 -55.3 -43.24 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -51.69 -45.72 63.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 10' ' ' PHE . 24.6 tp -69.86 -43.94 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -50.86 -55.72 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.71 -24.63 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -74.73 -53.09 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt -45.68 -21.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -49.76 -27.74 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 32' ' ' HIS . 8.2 pt -85.52 -25.73 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 31' ' ' ILE . 98.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.79 -51.26 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 26.9 m-85 -69.18 128.93 38.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -126.64 140.05 52.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.28 123.66 88.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.75 6.05 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 3.7 mm-40 -117.05 -66.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.5 p -110.26 -174.6 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -83.82 32.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.753 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 5.3 t80 -90.98 118.55 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.06 156.1 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -154.93 145.35 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -79.88 42.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' LYS . 5.1 mt -152.71 172.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' ILE . 13.0 mttp -103.46 -47.3 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.39 -57.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -41.42 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 38' ' ' TYR . 55.2 tp -53.51 -57.12 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.12 -39.56 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -72.35 -55.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.753 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 10.2 t60 -41.47 -41.13 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 41' ' ' PRO . 70.2 mt -51.77 -40.8 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -32.37 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HB3' HD11 ' A' ' 75' ' ' LEU . 86.5 mttt -60.31 -39.29 86.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 42' ' ' GLN . 48.7 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -105.39 112.77 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 134.99 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.47 140.82 46.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.86 -42.94 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.423 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 70.4 m-85 -68.16 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.1 p -110.49 -177.02 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 t -99.05 65.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 74' ' ' CYS . 35.2 t80 -110.13 129.59 55.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 p -119.97 128.77 53.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t -136.31 172.64 12.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 59' ' ' LYS . 4.4 mp -113.68 47.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -168.84 110.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -48.57 -36.63 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.54 92.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.83 -32.81 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -66.46 -35.71 80.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -70.32 -63.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 86' ' ' ARG . 14.5 p -49.94 -23.41 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -74.07 -43.56 57.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.57 -21.88 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 35.0 mm-40 -92.83 -23.07 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 82' ' ' VAL . 5.1 mmp_? -99.68 -50.56 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.36 -60.0 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.5 m-70 -76.73 13.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 24.4 mmtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.531 ' HB3' HD22 ' A' ' 25' ' ' LEU . 72.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' LYS . 28.2 m -107.31 126.69 52.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.16 132.28 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -95.38 30.49 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 18.4 m-85 -126.47 -46.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -123.15 21.5 9.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 48.18 46.36 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 11' ' ' THR . 32.2 mttm -99.28 171.45 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 58.2 t -143.67 139.24 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -135.45 144.25 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -69.44 -53.8 17.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 96.8 m-85 -91.61 158.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -75.99 -36.62 59.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 34.4 p80 -56.7 -48.84 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 13.1 p -48.22 -52.48 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.5 tp -66.42 -46.39 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -49.98 -44.48 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.97 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -89.52 -36.53 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.29 -18.35 36.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -48.3 -50.28 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' HIS . 15.7 pt -60.89 -33.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 77.0 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.564 0.697 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -44.73 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.716 2.277 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 19.7 m-85 -83.02 127.51 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -121.15 145.07 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -78.34 133.75 63.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.65 24.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' OE1' ' CG ' ' A' ' 60' ' ' HIS . 36.7 mt-30 -79.45 -60.08 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.37 -174.88 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.0 m -84.38 23.22 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -76.16 115.35 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.94 139.3 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -127.7 152.14 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.06 -11.77 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.9 mm -122.22 133.9 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 4.9 mmtp -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.0 89.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -42.58 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' HA ' HD12 ' A' ' 57' ' ' LEU . 22.7 t30 -55.51 -40.7 72.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.51 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -55.92 -47.87 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 54' ' ' ASN . 26.1 mt -48.13 -47.82 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -48.45 -28.26 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.26 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CG ' ' OE1' ' A' ' 42' ' ' GLN . 22.2 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 mttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 80' ' ' LEU . 87.5 m-85 -117.24 111.09 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.88 136.16 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.8 t -64.96 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.25 -23.45 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 40.8 m-85 -87.43 -52.19 5.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -118.42 -177.45 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -93.75 34.4 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -80.45 123.93 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -112.82 136.38 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.94 173.67 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.24 36.64 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.4 p -170.78 116.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -43.62 -52.1 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.91 -63.79 1.87 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -43.07 -50.42 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' PHE . 5.8 tp -53.94 -51.3 64.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -57.18 -59.17 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 -26.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.479 ' ND1' HG21 ' A' ' 87' ' ' VAL . 7.3 t60 -66.36 -36.01 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -77.48 -29.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.454 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.6 mm-40 -81.82 -21.86 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -99.93 -47.21 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' ND1' ' A' ' 83' ' ' HIS . 52.3 t -77.87 -63.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.7 m-70 -78.97 18.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 10.4 mmtp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.937 0.399 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 17' ' ' LYS . 91.4 m -108.1 125.28 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.97 132.97 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -96.64 32.25 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -130.44 -35.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -130.55 11.35 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 23.5 t30 54.42 47.39 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.854 ' O ' HG23 ' A' ' 11' ' ' THR . 28.0 mttp -102.36 -177.76 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.88 145.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -141.25 130.77 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.59 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 39.2 m-85 -105.16 154.8 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -75.78 -51.07 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 43.3 p-80 -48.28 -43.43 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -52.76 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.03 -41.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 44.3 mt-30 -57.26 -50.22 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' C ' ' HD3' ' A' ' 30' ' ' ARG . . . -69.49 -20.55 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.2 t60 -78.98 -53.34 7.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' HIS . 26.1 mt -37.42 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' HIS . 1.5 mpt_? -52.12 -55.24 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -47.31 -23.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 31' ' ' ILE . 74.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 49.0 m-85 -69.9 129.42 39.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.57 148.39 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' TYR . 49.0 t -75.96 128.76 82.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.66 8.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -110.59 -61.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.5 p -114.53 -176.1 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -83.53 37.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' CYS . 8.7 t80 -93.65 115.62 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.18 38.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -138.97 153.27 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.45 -27.6 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' ALA . 29.4 mm -106.38 126.09 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 5.9 mmmt -49.68 -41.82 44.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -64.07 -43.71 94.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.28 -39.85 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.31 -36.41 76.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -64.98 -27.55 68.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 51' ' ' ALA . 57.7 t -79.57 -33.96 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -67.56 -42.49 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -54.24 -37.28 64.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -55.21 -19.74 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -74.17 -45.6 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.629 ' HD2' HG21 ' A' ' 73' ' ' THR . 7.8 ttpp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 80' ' ' LEU . 12.9 m-85 -116.23 119.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.85 34.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.78 138.92 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.09 -36.9 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.7 m-85 -75.28 -59.64 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 p -108.54 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -98.32 31.94 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -78.24 139.98 38.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.629 HG21 ' HD2' ' A' ' 64' ' ' LYS . 2.4 p -132.65 143.15 49.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 t -145.04 147.69 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 75' ' ' LEU . 3.7 mm? -75.88 -6.31 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -125.78 127.92 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 13.0 ptmt -68.72 -36.86 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 77' ' ' LYS . . . -56.32 -39.7 83.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' O ' HG12 ' A' ' 82' ' ' VAL . 6.2 t-80 -72.56 -36.34 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 65' ' ' PHE . 17.7 tp -59.31 -35.48 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -56.2 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 79' ' ' HIS . 7.4 p -59.0 -38.22 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.426 ' ND1' HG21 ' A' ' 87' ' ' VAL . 7.9 t60 -51.71 -40.81 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.78 -19.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 89' ' ' LYS . 19.8 mt-10 -93.21 -22.93 18.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -100.55 -47.57 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.426 HG21 ' ND1' ' A' ' 83' ' ' HIS . 44.5 t -78.2 -62.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 83.9 m-70 -71.63 -35.51 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 17' ' ' LYS . 7.4 m -84.62 144.33 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.6 t -91.1 124.5 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -88.1 34.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 5.7 m-85 -130.66 -42.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -130.48 27.8 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 41.28 45.26 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 11' ' ' THR . 20.7 mtpt -100.02 176.59 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -139.22 128.76 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -124.73 115.71 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG3' ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.52 -13.94 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 87.8 m-85 -118.87 145.03 46.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.32 -52.79 16.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 7.3 p80 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -53.48 -43.62 68.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.56 -48.0 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -47.2 -61.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.08 -40.48 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' LEU . 17.9 t60 -60.8 -54.69 42.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' HIS . 24.6 mt -34.83 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -45.66 -49.05 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 28' ' ' HIS . 2.0 pp -49.69 -34.69 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 74.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 29.4 m-85 -71.49 101.66 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.76 132.12 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.2 t -65.09 122.79 81.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.28 5.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.48 -57.13 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 19.3 p -120.74 -175.73 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 m -83.89 33.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 8.1 t80 -92.9 116.17 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.12 146.08 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -145.23 161.7 38.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.9 -20.29 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.15 126.73 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 6.2 mmtp -56.34 -52.1 65.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.0 -52.85 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -47.1 -45.59 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -53.11 -43.54 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.3 -36.24 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.28 -54.86 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -39.34 -37.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -44.45 -51.89 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -46.75 -49.65 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -111.89 109.48 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.82 127.28 38.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.6 t -53.69 141.99 24.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.42 -40.66 50.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 50.5 m-85 -68.78 -58.08 4.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -113.66 -176.4 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -100.67 70.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 42.0 t80 -120.42 119.06 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -103.04 135.73 44.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.1 t -136.67 171.4 14.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.77 43.63 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -167.44 151.96 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -81.15 -50.51 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.31 -43.77 98.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -52.24 -42.25 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 67' ' ' CYS . 49.6 tp -59.67 -55.22 37.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -52.51 -51.33 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.31 -41.48 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.58 -41.96 86.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.6 mt -71.54 -22.91 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 25.1 mt-10 -93.14 -21.47 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.69 -23.76 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.7 t -102.61 -64.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 89.7 m-70 -71.43 -11.45 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.936 0.398 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -94.9 100.7 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LYS . 5.8 t -42.15 115.17 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -86.2 32.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 83.8 m-85 -127.59 -42.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -126.74 25.55 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 t-20 47.01 46.11 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' CYS . 18.4 mtpt -107.8 170.1 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -133.71 135.61 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CZ ' ' CD2' ' A' ' 28' ' ' HIS . 44.5 m-85 -130.26 132.24 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE2' ' CZ ' ' A' ' 21' ' ' PHE . 22.4 ttpt -73.07 -35.25 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 3.2 m-85 -103.39 138.61 39.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -64.08 -52.21 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 7.1 p-80 -53.29 -45.13 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.402 ' N ' ' CD2' ' A' ' 23' ' ' HIS . 3.3 m -50.72 -39.43 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.47 -40.79 56.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -52.29 -45.29 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -76.89 -13.2 60.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t60 -93.0 -15.81 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' HIS . 39.3 mt -81.67 -34.28 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.36 -32.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 32' ' ' HIS . 2.2 pt -70.3 -38.47 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' A' ' 48' ' ' ALA . 50.0 mmtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 -38.44 7.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 83.2 m-85 -84.33 118.71 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -115.47 148.35 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.7 t -84.8 121.87 74.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.09 4.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -108.82 -54.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.21 -174.59 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -82.4 38.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 7.8 t80 -95.09 128.48 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.39 141.54 35.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.2 m -142.57 127.23 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . -44.09 -48.08 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -88.14 134.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -65.92 -43.9 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.98 -55.21 7.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -53.66 -52.7 59.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.5 -50.16 68.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -45.9 -43.12 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.98 -36.05 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 28.7 t60 -60.44 -42.58 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.9 mt -52.67 -44.43 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -39.97 13.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -54.26 -39.72 67.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.777 0.323 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.03 105.44 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.18 130.86 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.2 t -57.99 134.23 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.49 -32.01 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 37.5 m-85 -84.99 -67.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -97.53 -176.75 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.0 t -97.33 40.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 24.3 t80 -88.43 119.11 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -101.94 135.45 43.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.456 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 39.9 t -131.85 157.25 44.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -78.82 -41.99 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -94.47 161.41 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -86.75 -62.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.51 -52.67 2.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -46.85 -57.24 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 67' ' ' CYS . 28.2 tp -42.59 -52.76 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -53.05 -52.4 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.62 -37.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' HG21 ' A' ' 87' ' ' VAL . 3.8 t60 -63.26 -38.62 91.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 80.7 mt -75.74 -20.43 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.1 -23.77 18.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -99.7 -47.31 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.461 HG21 ' ND1' ' A' ' 83' ' ' HIS . 38.5 t -77.21 -63.06 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.437 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 84.0 m-70 -72.02 -35.88 69.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 50.4 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.949 0.404 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.2 m -108.03 132.26 53.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 t -77.39 149.9 35.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -100.67 -15.26 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -79.88 -52.61 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASN . 21.3 p -114.91 26.16 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 49.7 m-80 35.28 43.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.682 ' O ' HG23 ' A' ' 11' ' ' THR . 25.5 mttt -93.2 175.91 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.01 146.05 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -143.6 115.05 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -47.81 -50.47 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -95.38 159.81 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 23.2 ttpt -79.19 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -44.12 -32.17 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 m -66.67 -40.24 88.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -72.96 -43.72 61.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -51.88 -51.63 55.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -26.98 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.4 t60 -71.27 -50.91 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.3 mt -40.82 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.2 mtm180 -52.91 -47.51 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 28' ' ' HIS . 5.3 pt -58.48 -23.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 46' ' ' ALA . 8.0 mtmp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.571 0.701 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.74 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 28.5 m-85 -75.55 130.89 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -131.26 149.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.8 t -101.46 114.02 65.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.15 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.394 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 4.1 mm-40 -99.78 -64.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' TYR . 26.9 p -118.34 41.95 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m 39.63 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' CYS . 5.0 t80 -78.76 118.22 20.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.444 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . -119.69 147.44 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 t -148.75 149.11 30.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -78.45 44.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' ALA . 2.7 mt -154.99 161.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -98.96 -46.16 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.95 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -40.09 -46.27 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 38' ' ' TYR . 18.6 tp -66.24 -56.84 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.65 -42.55 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.17 -48.05 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -51.6 -45.29 63.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.95 -47.65 64.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -45.04 -45.1 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -47.0 -34.89 6.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 42' ' ' GLN . 79.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mttt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 28.9 m-85 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.95 127.26 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.492 ' HA ' HD11 ' A' ' 80' ' ' LEU . 40.1 t -56.37 152.73 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -86.79 -43.32 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.5 m-85 -69.84 -46.42 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.0 p -117.53 177.68 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -96.83 37.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 40.1 t80 -80.05 155.45 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 p -139.28 139.66 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 28.3 p -142.95 -177.69 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 74' ' ' CYS . 9.3 mp -121.86 41.86 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -173.82 108.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 28.2 pttt -45.85 -46.91 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.42 49.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -49.96 -45.15 51.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 67' ' ' CYS . 8.7 tt -57.84 -56.43 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -43.14 -39.75 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.2 t -78.54 -42.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -54.49 -37.81 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 80' ' ' LEU . 38.9 mt -76.96 -22.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 80.9 mt-10 -93.4 -20.77 20.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -100.35 -39.42 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.1 -64.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.4 m-70 -71.75 -36.76 70.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' HB3' HD22 ' A' ' 25' ' ' LEU . 80.0 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -108.48 121.89 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.52 120.72 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.91 30.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -124.6 -42.86 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -129.08 26.31 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 44.96 52.76 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -110.39 170.3 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -137.59 135.45 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -133.74 115.77 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -54.26 -47.31 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.49 152.12 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -75.03 -52.99 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -52.48 -37.34 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -58.42 -43.7 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 10' ' ' PHE . 9.8 tp -70.37 -55.87 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -39.52 -53.79 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -64.59 -51.6 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.69 -25.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -49.02 -42.55 38.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 pt -55.27 -26.99 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.87 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 65.5 m-85 -75.6 107.03 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -109.29 141.35 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.0 t -74.59 121.69 85.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -105.9 -58.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.87 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -82.56 44.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.485 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.0 t80 -103.38 122.57 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.51 155.33 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 p -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.63 -38.61 6.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -103.29 131.87 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 38' ' ' TYR . 8.5 ptpt -64.99 -43.2 93.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.06 -43.31 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -66.57 -38.88 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.01 -47.35 80.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -46.81 -45.07 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.62 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -61.74 -54.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.3 mt -41.82 -42.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -44.72 -44.38 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -48.35 -50.16 31.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -105.73 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.05 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' CYS . 13.6 t -63.15 144.08 57.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -76.68 -38.54 54.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 31.3 m-85 -75.29 -47.4 28.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 20.9 p -121.68 -177.68 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -97.55 47.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -96.11 117.28 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -100.77 133.55 45.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 30.2 t -129.92 147.53 51.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.82 -40.72 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 p -97.76 177.39 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.16 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.92 -56.98 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -48.08 -47.99 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.78 -55.29 36.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -50.55 -49.92 54.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.43 -43.27 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.5 t60 -51.23 -39.12 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 59.8 mt -75.68 -17.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 89' ' ' LYS . 45.6 mt-10 -93.2 -25.11 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -100.6 -44.13 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG21 ' ND1' ' A' ' 83' ' ' HIS . 53.8 t -77.25 -63.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 88.9 m-70 -71.12 -26.44 63.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 4.8 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -68.79 144.92 54.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m -135.21 106.89 6.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.0 173.77 39.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 171.91 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -164.18 109.08 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.9 -80.97 0.34 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.55 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -111.59 175.67 5.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.36 142.18 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 63.7 m-85 -102.95 109.18 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 m -104.73 135.16 46.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -83.85 122.67 29.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 11.3 pt-20 -85.59 32.95 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.4 m-85 -126.99 -51.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -122.46 23.02 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 59.5 t30 47.56 44.35 16.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -97.68 171.81 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -139.53 138.97 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 2.1 m-85 -134.48 128.84 34.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . 90.1 m-85 -87.95 169.22 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 41.0 tttm -87.22 -53.62 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 21' ' ' PHE . 6.7 p80 -48.21 -33.26 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -59.71 -51.3 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 10' ' ' PHE . 27.9 tp -62.66 -47.12 85.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -51.42 -61.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -56.42 -34.23 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -63.15 -44.86 94.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -50.49 -17.8 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 1.9 mmp_? -48.25 -51.47 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -64.5 -19.45 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 65.3 m-70 -92.07 57.9 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 p -151.42 125.24 9.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -120.77 94.0 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -117.54 -12.27 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.666 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.08 151.74 39.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.934 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -41.03 4.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 70.2 m-85 -91.65 114.0 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -111.59 149.81 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.8 t -87.48 133.49 38.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.92 9.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.84 -175.74 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -84.73 29.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -77.18 120.41 22.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -132.91 149.51 52.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -156.89 133.32 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -54.76 -31.81 59.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 50' ' ' LYS . 12.0 mt -72.68 159.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 49' ' ' ILE . 3.3 mptt -94.8 -50.3 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -58.73 -53.59 56.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.0 t-20 -35.71 -46.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 38' ' ' TYR . 43.9 tp -62.16 -55.2 31.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -44.94 -49.6 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.95 -43.79 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -55.95 -52.59 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.5 mt -45.22 -46.12 12.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -48.57 -34.33 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' O ' HD11 ' A' ' 75' ' ' LEU . 54.5 mttm -56.27 -35.65 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -71.02 92.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.6 77.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.94 -97.32 2.31 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.443 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -139.29 129.97 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -94.88 166.32 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 33.8 m-85 -115.16 107.2 14.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.26 141.68 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.832 ' HA ' HD11 ' A' ' 80' ' ' LEU . 21.7 t -70.2 138.03 51.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -70.08 -35.49 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -78.44 -58.1 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -111.28 -177.22 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.4 t -95.53 39.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -87.22 122.55 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -106.8 137.64 44.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.75 149.83 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 59' ' ' LYS . 3.8 mm? -65.8 -40.51 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 m -99.03 172.62 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 65.3 tttt -98.17 -51.99 3.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.98 -38.9 25.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -60.85 -45.12 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.832 HD11 ' HA ' ' A' ' 67' ' ' CYS . 21.2 tp -53.73 -46.89 70.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -56.63 -46.8 80.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.1 t -66.06 -32.34 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.64 -29.05 70.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -83.15 -25.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 23.3 mt-10 -88.01 -20.37 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -100.09 -44.58 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 t -81.47 -62.25 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -75.97 10.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 47.8 mmtt -152.42 147.19 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.09 28.99 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.9 mt -130.44 122.94 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -142.68 170.51 15.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -169.15 177.71 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.16 8.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -168.97 148.06 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -157.12 173.29 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.49 -148.95 5.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.7 172.47 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.313 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 51.7 mt -128.25 147.88 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 m-85 -127.47 92.95 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.2 m -86.69 137.55 32.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.0 t -86.04 119.1 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.93 19.0 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.702 ' CE2' HD22 ' A' ' 29' ' ' LEU . 14.0 m-85 -115.31 -37.16 4.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.52 27.02 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 39.67 50.7 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 11' ' ' THR . 28.1 mttp -105.84 170.89 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.31 128.09 39.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -122.21 160.76 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 42.3 tttt -102.45 -39.02 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 47.7 m-85 -98.84 145.44 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -66.16 -57.46 7.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -51.47 -39.43 57.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -54.14 -50.27 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.6 tp -72.73 -47.89 43.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -47.52 -46.04 27.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.48 -16.24 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -85.42 -42.84 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.702 HD22 ' CE2' ' A' ' 14' ' ' TYR . 32.9 mt -54.41 -17.12 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -50.04 -44.54 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -67.93 -24.46 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 14' ' ' TYR . 92.8 m-70 -91.98 35.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.6 p -115.66 175.41 5.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -41.58 163.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.43 141.01 29.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.56 124.64 10.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.552 0.692 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.484 ' CZ ' ' CG ' ' A' ' 50' ' ' LYS . 42.4 m-85 -75.38 118.4 18.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 145.94 34.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -82.89 132.57 50.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.727 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.8 Cg_endo -69.73 -28.22 25.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -77.53 -61.74 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.1 p -118.42 -174.99 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -83.57 21.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.9 t80 -77.68 128.44 34.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.53 151.47 51.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -139.55 167.17 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.9 -18.58 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -111.28 127.69 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 38' ' ' TYR . 7.1 mtpm? -58.78 -43.05 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.83 98.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -59.75 -44.56 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.9 tp -62.83 -33.52 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.19 -40.97 97.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.95 -39.81 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -58.1 -53.52 57.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' A' ' 41' ' ' PRO . 87.2 mt -41.73 -37.34 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -50.26 -44.13 53.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 61' ' ' THR . 9.4 mptt -48.31 -44.6 34.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.62 89.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 59' ' ' LYS . 5.3 t -166.91 142.14 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.68 -173.9 31.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -49.42 111.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -66.72 160.08 26.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.26 107.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.71 129.78 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 t -62.76 142.79 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.02 -41.04 21.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.6 m-85 -68.51 -47.59 66.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 p -126.05 -179.26 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.0 m -96.91 69.14 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 50.3 t80 -117.49 129.9 56.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.5 p -118.57 133.49 55.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.3 t -140.79 141.94 34.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.23 43.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 m -161.6 144.31 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -79.41 -50.09 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.49 94.28 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -54.99 -42.26 72.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.7 tp -58.31 -57.24 13.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -49.09 -55.81 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.3 -35.32 53.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.16 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -89.6 -27.31 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -83.36 -22.19 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LYS . 18.1 mmt85 -99.49 -50.95 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -75.9 -61.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.1 m-70 -77.19 12.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 86' ' ' ARG . 32.2 mttm -155.46 129.8 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -105.38 162.75 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 tt -71.19 126.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.885 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -92.4 42.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -113.6 170.75 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.73 158.81 14.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -174.21 123.79 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.5 t -174.56 152.05 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.53 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 11.6 ptmt -134.1 178.64 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.9 mt -133.06 144.86 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.533 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 61.2 m-85 -113.95 94.49 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.6 m -91.11 121.66 33.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.71 124.96 22.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.68 27.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.529 ' CB ' ' CD2' ' A' ' 32' ' ' HIS . 4.1 m-85 -123.77 -41.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -129.51 30.7 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.2 t-20 40.31 47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 11' ' ' THR . 33.3 mttm -104.16 -179.12 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.58 145.8 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' A' ' 25' ' ' LEU . 40.1 m-85 -142.92 121.44 12.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -59.77 -42.17 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.46 148.93 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -75.47 -51.37 13.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -59.41 -32.56 70.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -58.07 -50.35 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 19' ' ' PHE . 22.6 tp -64.24 -58.4 6.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' LEU . 6.0 mm-40 -34.86 -57.85 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.7 -37.6 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.3 t60 -66.12 -51.75 54.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -38.12 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' HIS . 69.0 mtm180 -53.33 -48.4 68.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -44.74 -22.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.529 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 85.4 m-70 -89.35 -36.13 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' ARG . 6.9 t -117.3 48.68 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -164.5 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -123.29 144.31 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -133.05 132.41 22.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.615 0.722 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -51.4 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' HB3' HD22 ' A' ' 53' ' ' LEU . 89.3 m-85 -71.23 108.42 4.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -105.56 149.03 26.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.6 t -88.39 119.47 70.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.84 27.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -93.83 -53.18 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.7 p -128.41 -177.36 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.4 p -81.85 40.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 17.3 t80 -100.17 130.37 46.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.03 139.82 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -133.72 157.04 46.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.63 -44.63 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -86.09 141.69 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -61.77 -59.98 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.68 -54.67 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -40.35 -53.04 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 38' ' ' TYR . 19.5 tp -56.13 -51.95 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -48.47 -36.78 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.08 -28.73 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.435 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 22.1 t60 -85.26 -31.64 23.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.24 -46.32 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -50.8 -17.53 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -75.25 -43.19 52.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -61.49 -72.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -43.08 148.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.91 -67.91 1.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -148.88 121.98 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -72.72 147.39 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 77' ' ' LYS . 63.4 m-85 -99.77 107.51 19.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.46 141.57 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.36 143.6 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.21 -46.11 65.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -67.06 -62.82 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.8 p -104.53 -175.85 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -100.89 40.05 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 6.8 t80 -82.65 121.83 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -107.2 139.87 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 26.4 p -144.03 167.53 22.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.49 42.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.9 t -172.44 118.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 16.4 tptp -55.31 -47.77 75.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.1 92.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -59.75 -27.04 66.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tt -73.07 -46.29 52.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.79 -52.57 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.503 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 14.5 p -62.91 -24.82 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.71 -41.68 75.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.7 mt -75.72 -18.08 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -93.42 -25.35 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -98.39 -43.69 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.21 -63.97 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -72.51 2.42 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -149.8 -175.33 4.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -118.25 -44.4 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.2 mm -116.22 145.14 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' NZ ' HG23 ' A' ' 82' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -146.32 139.15 25.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -145.79 165.0 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.29 115.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -102.72 132.8 48.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -59.16 -51.04 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.49 50.92 51.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 173.89 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.7 mt -124.83 149.22 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 77.5 m-85 -121.38 113.88 20.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' LYS . 12.7 m -101.04 146.83 26.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -92.15 131.81 37.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -94.58 27.64 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 75.5 m-85 -126.34 -38.26 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.1 26.87 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.3 t30 39.07 46.57 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 11' ' ' THR . 28.9 mttm -100.66 176.39 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 97.0 t -139.06 148.55 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 24.8 m-85 -144.24 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -82.39 -40.92 20.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -100.91 145.42 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.93 -62.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 11.4 p-80 -42.75 -42.12 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -57.25 -40.8 78.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 10' ' ' PHE . 16.7 tp -74.04 -44.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -52.41 58.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -66.21 -38.39 87.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.16 -12.7 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -54.62 -43.06 71.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.49 -21.1 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 89.4 m-70 -94.0 -39.51 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.1 p -119.29 117.0 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -94.05 121.07 35.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -132.88 93.12 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -144.68 119.13 5.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.56 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.91 121.78 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.663 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 6.6 mtmp? -124.26 147.03 48.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -74.79 124.73 89.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.64 3.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -111.58 -55.2 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.2 p -121.79 -174.82 2.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -84.41 28.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.815 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 5.4 t80 -85.04 119.75 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . . . -136.38 156.6 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 t -161.12 133.88 6.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.85 -30.77 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.44 149.41 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -79.0 -56.3 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' ASN . . . -49.15 -56.0 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.053 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 4.8 t-20 -35.78 -51.23 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.87 -42.23 99.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 41.7 m-20 -62.1 -40.95 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -72.07 -23.29 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -80.78 -42.19 22.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.83 -47.31 74.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 64' ' ' LYS . 41.9 mtt-85 -44.85 -29.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -65.51 -46.72 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -48.1 -69.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.0 t -56.65 -35.22 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.68 -76.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -152.59 162.29 41.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 18.5 mttt -125.47 154.73 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -115.94 113.5 23.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.51 150.68 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.467 ' HA ' HD11 ' A' ' 80' ' ' LEU . 53.8 t -77.23 136.44 38.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.88 -34.06 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 51.8 m-85 -77.62 -68.78 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.8 p -92.9 -175.16 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.7 m -101.38 30.29 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 49.7 t80 -73.93 156.76 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 72' ' ' PHE . 68.3 p -143.99 137.5 27.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 27.3 p -142.97 -177.44 5.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.98 45.44 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -167.34 130.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -57.96 -62.66 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.46 -49.67 38.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.29 -38.12 18.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 67' ' ' CYS . 48.8 tp -67.79 -41.44 83.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -63.74 -58.4 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.8 p -54.99 -25.41 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.675 ' O ' HG23 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -67.94 -48.3 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.811 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 84' ' ' ILE . 60.6 mt -67.08 -15.26 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.41 -33.66 13.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' C ' ' HB3' ' A' ' 90' ' ' LYS . 91.7 mtt-85 -98.48 -12.98 20.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 83' ' ' HIS . 47.7 t -102.91 -66.85 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 96.7 m-70 -77.75 -34.65 52.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -100.84 41.02 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 86' ' ' ARG . 4.7 tppp? -175.58 134.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 pt -59.57 126.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -162.28 155.73 20.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -131.26 154.37 48.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.8 -132.77 0.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 9.1 t -154.01 165.11 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.86 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 86.1 p -37.02 149.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.98 73.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -141.95 -177.23 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 8' ' ' LYS . 52.5 mt -152.94 133.03 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' CE2' ' HE2' ' A' ' 8' ' ' LYS . 48.6 m-85 -98.63 98.42 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.5 m -97.52 112.79 24.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LYS . 12.9 t -54.97 127.55 29.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.4 28.81 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.534 ' CE1' ' CD2' ' A' ' 29' ' ' LEU . 76.9 m-85 -123.24 -45.22 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -125.61 25.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 28.0 t30 46.24 43.67 11.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' CYS . 23.2 mttm -101.6 165.4 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.97 139.93 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -133.85 152.39 51.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -89.4 -39.71 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 7.2 m-85 -102.43 151.39 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 3.4 p-80 -42.11 -45.91 4.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -51.46 -47.23 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.2 tp -69.49 -48.14 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -51.62 -53.63 36.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.31 -23.29 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -75.66 -22.99 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' ' CE1' ' A' ' 14' ' ' TYR . 43.5 mt -70.61 -7.92 47.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.27 -49.56 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD12 ' CB ' ' A' ' 44' ' ' SER . 27.4 pt -61.67 -23.46 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -84.3 -39.87 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -87.02 88.85 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -145.02 169.24 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 7.1 pt-20 -106.26 68.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.3 mppt? -144.26 116.89 5.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 58.6 m-85 -72.56 120.44 18.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -109.6 150.28 28.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -78.3 130.16 72.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 -3.92 12.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -108.23 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.8 p -112.73 -174.75 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.432 ' CB ' HD12 ' A' ' 31' ' ' ILE . 68.3 m -83.96 24.33 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 30.0 t80 -81.86 128.48 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -129.8 145.7 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -137.44 136.66 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.51 HG22 ' H ' ' A' ' 51' ' ' ALA . 21.7 mm -101.73 125.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 6.0 mtmp? -56.08 -35.27 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.51 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -65.16 -40.95 95.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -64.95 -35.6 81.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.1 -45.74 83.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -54.16 -45.23 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.76 -40.48 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.75 -49.78 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' A' ' 41' ' ' PRO . 78.8 mt -44.54 -42.94 7.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -45.55 -42.32 10.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' THR . 43.2 mttt -50.5 -45.85 56.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -56.0 85.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 61' ' ' THR . 9.0 t -171.87 118.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 46.72 -147.86 2.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.431 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -135.84 151.47 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -101.8 124.47 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 77' ' ' LYS . 27.1 m-85 -97.52 110.74 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.57 148.15 28.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.5 t -77.84 138.72 39.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.24 -44.48 65.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 59.4 m-85 -69.63 -61.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.17 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.2 m -95.6 40.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -84.91 149.17 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.2 p -131.63 138.44 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 75' ' ' LEU . 34.8 t -132.63 161.0 35.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' N ' ' SG ' ' A' ' 74' ' ' CYS . 3.9 mm? -83.03 -42.61 17.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.4 p -90.59 -179.86 5.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -112.61 -15.52 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.41 -29.11 25.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -73.3 -34.21 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 tp -61.84 -41.32 97.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -65.07 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.21 -24.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.95 -31.79 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 68.3 mt -79.77 -31.71 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -80.04 -21.32 43.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 89' ' ' LYS . 3.7 mmp_? -99.4 -48.91 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.6 t -78.52 -60.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 94.6 m-70 -77.85 14.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' ARG . 21.3 mttm -155.68 173.47 16.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -147.93 151.26 35.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 90' ' ' LYS . 2.6 tp -35.77 124.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -165.38 163.5 19.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -174.22 172.54 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.32 -179.37 46.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -162.22 164.81 27.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -173.42 121.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.9 -157.01 9.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -124.37 165.48 17.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -127.61 151.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' HB3' HD22 ' A' ' 25' ' ' LEU . 51.9 m-85 -124.36 91.99 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 17' ' ' LYS . 11.4 m -85.45 145.41 27.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.82 128.16 38.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' CE1' ' A' ' 14' ' ' TYR . 6.2 pt-20 -92.0 34.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CE1' ' HG3' ' A' ' 13' ' ' GLU . 16.7 m-85 -131.13 -40.66 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.1 p -131.28 25.63 4.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.48 52.18 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 11' ' ' THR . 34.6 mttm -108.07 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -137.31 135.13 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -134.02 115.21 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.594 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -59.48 -25.36 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 20' ' ' LYS . 87.9 m-85 -98.77 155.69 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -84.21 -39.75 18.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -65.5 -39.34 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 t -53.92 -58.47 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 10' ' ' PHE . 23.4 tp -53.23 -51.78 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -54.2 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.59 61.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -79.6 -44.36 21.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -47.67 -23.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -50.34 -47.38 55.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' H ' HG23 ' A' ' 31' ' ' ILE . 9.4 pt -49.17 -29.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 67.5 m-70 -84.14 -41.47 17.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 p -103.61 86.85 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -171.72 178.72 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -128.5 -41.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -42.28 111.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.96 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.672 2.248 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 50' ' ' LYS . 68.8 m-85 -71.03 106.55 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.51 148.21 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' TYR . 48.9 t -80.08 119.29 76.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 0.21 5.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -109.05 -43.96 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.12 -176.42 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -81.89 43.43 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.455 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 7.7 t80 -100.57 122.94 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.41 151.84 51.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 m -162.17 118.87 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.56 -42.88 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.506 HD12 ' ND2' ' A' ' 52' ' ' ASN . 29.4 mt -69.05 139.02 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -74.13 -59.44 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.56 -36.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.055 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.506 ' ND2' HD12 ' A' ' 49' ' ' ILE . 6.7 m-20 -55.68 -58.38 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.44 -42.54 43.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.54 -41.15 84.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.07 -18.8 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 39.4 t60 -90.52 -43.02 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.0 mt -55.52 -54.8 39.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -40.41 -35.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -56.53 -44.88 81.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 61' ' ' THR . 95.2 m-70 -64.63 -63.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 61' ' ' THR . 11.5 t 33.18 48.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.49 -64.73 1.72 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -157.23 144.07 18.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -132.83 117.99 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 80' ' ' LEU . 31.7 m-85 -66.57 123.93 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 132.4 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.02 147.55 38.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.2 -41.33 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 78.6 m-85 -67.91 -41.04 83.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.2 p -131.67 -179.98 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.4 p -96.32 63.66 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 30.8 t80 -111.21 121.59 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -107.14 131.96 53.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 22.2 p -139.33 151.62 46.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -100.22 45.3 0.99 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 114.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -43.91 -51.86 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.81 -50.35 44.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.3 -36.51 42.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 65' ' ' PHE . 20.5 tp -70.97 -33.09 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -73.78 -52.64 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.0 -21.22 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -72.7 -40.12 66.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 88' ' ' HIS . 46.4 mt -77.1 -26.94 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -83.01 -24.09 33.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.8 mmp_? -99.53 -48.88 4.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.93 -58.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 93.5 m-70 -80.15 16.99 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.6 mmtt -155.62 153.64 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -118.49 147.1 43.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.717 HD13 ' H ' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -84.63 17.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.837 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -81.61 95.42 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.369 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -157.35 178.12 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.64 166.15 32.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -116.21 -40.93 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m 46.39 53.33 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.42 161.0 38.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -101.79 166.7 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.5 mt -134.86 136.54 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -93.52 99.54 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 17' ' ' LYS . 20.8 m -104.73 143.64 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 29' ' ' LEU . 11.3 t -89.84 127.07 35.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.08 17.68 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CE2' HD22 ' A' ' 29' ' ' LEU . 21.8 m-85 -114.43 -38.49 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.2 p -127.49 13.44 7.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.3 m120 49.06 54.55 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 11' ' ' THR . 23.8 mttt -111.8 168.9 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 78.8 t -132.42 145.11 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 25' ' ' LEU . 12.0 m-85 -139.03 169.47 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -106.28 -40.05 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 95.1 m-85 -96.21 141.02 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -63.57 -51.89 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 21.6 p-80 -58.43 -43.01 88.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.797 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -46.4 -58.65 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.765 HD13 ' CD1' ' A' ' 19' ' ' PHE . 25.5 tp -69.2 -46.51 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -45.2 -45.97 11.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -24.17 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 31' ' ' ILE . 15.9 t60 -77.53 -45.24 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.749 ' O ' HG22 ' A' ' 33' ' ' THR . 71.7 mt -50.17 -17.15 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 13.0 mtp-105 -55.9 -48.46 75.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -58.73 -22.53 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.7 m-70 -89.07 -75.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 29' ' ' LEU . 1.6 t -51.07 122.1 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -168.41 177.93 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -92.32 129.33 38.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.606 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 8.4 mptt -113.36 136.77 21.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' HB3' HD22 ' A' ' 53' ' ' LEU . 99.0 m-85 -73.97 126.92 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -133.24 146.7 51.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.18 130.85 85.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 0.83 5.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -114.01 -43.02 3.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.3 p -134.99 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -76.92 47.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 4.9 t80 -95.03 120.45 35.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 36' ' ' LYS . . . -131.88 138.24 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.2 m -129.42 -10.5 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 47' ' ' SER . . . 69.61 25.07 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 48' ' ' ALA . 20.9 mt -150.11 145.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 18.0 mttm -72.74 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.96 -69.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.42 -56.62 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.9 tp -46.12 -51.94 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -50.98 -39.15 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 63.7 t -68.58 -33.18 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.647 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 24.1 t60 -64.91 -49.44 70.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD21 ' HD2' ' A' ' 41' ' ' PRO . 64.0 mt -46.7 -45.31 19.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -45.96 -38.36 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -52.68 -47.62 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -52.99 95.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.9 p -139.78 127.19 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.89 -128.58 6.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.83 154.18 51.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.402 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -117.18 139.69 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.43 126.01 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.71 146.86 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.53 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.7 t -78.68 135.58 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.79 -38.05 64.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.446 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 63.7 m-85 -68.44 -58.31 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.75 -179.26 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 t -98.07 67.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -115.62 153.5 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.3 p -138.01 143.77 40.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.4 p -143.64 -176.88 5.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.71 44.28 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -170.85 116.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -49.98 -43.5 50.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.27 -42.67 96.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -53.6 -44.91 69.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 67' ' ' CYS . 23.6 tp -54.3 -55.33 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -50.57 -52.19 41.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.49 -42.22 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.817 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -54.89 -45.08 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 84' ' ' ILE . 82.0 mt -69.32 -9.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 89' ' ' LYS . 85.9 mt-10 -93.02 -34.38 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' LYS . 93.6 mtt180 -100.02 -47.56 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.817 HG21 ' ND1' ' A' ' 83' ' ' HIS . 63.9 t -61.13 -69.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.446 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 97.5 m-70 -73.1 -35.63 66.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 86' ' ' ARG . 9.1 mptt -106.0 144.56 32.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -171.05 157.87 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.4 tt -145.3 133.3 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -158.92 161.96 36.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -44.54 153.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.44 175.33 18.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -86.12 161.11 19.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -53.86 -55.88 22.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.2 114.14 3.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 174.83 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.316 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.5 mt -128.48 146.57 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.21 102.41 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.0 m -100.81 147.31 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.4 t -95.73 129.62 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.38 33.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.407 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 30.2 m-85 -130.05 -39.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.22 25.02 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m120 42.72 46.99 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' O ' HG23 ' A' ' 11' ' ' THR . 18.8 mtpt -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 86.5 t -143.78 150.1 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 3.2 m-85 -144.24 147.02 33.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -96.81 18.31 14.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 6.2 m-85 -147.56 155.8 42.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -78.67 -48.13 15.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 36.3 p-80 -60.64 -36.59 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.6 p -54.63 -59.72 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' HIS . 20.7 tp -60.07 -61.69 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' LEU . 12.8 mm100 -36.57 -55.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.99 79.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 30' ' ' ARG . 7.7 t60 -63.4 -56.06 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.0 mt -38.74 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 28' ' ' HIS . 80.5 mtt180 -49.6 -46.39 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 32' ' ' HIS . 6.2 pt -53.28 -24.76 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' N ' HG13 ' A' ' 31' ' ' ILE . 88.0 m-70 -87.81 -60.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.8 p -65.12 126.87 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -112.97 138.5 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 29.8 mp0 -124.5 -51.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -44.17 120.43 3.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 54.6 m-85 -73.22 115.45 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -112.37 148.82 33.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.3 t -82.49 123.04 79.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -3.36 11.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -104.56 -58.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 17.8 p -119.82 -174.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 t -84.36 31.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.8 t80 -90.05 136.75 32.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.76 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 p -164.6 144.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.76 -23.22 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.59 139.81 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 40.0 mttt -58.01 -64.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.04 -49.42 8.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.1 tp -67.62 -48.54 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -54.43 -38.88 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.22 -22.12 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -89.26 -38.53 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.62 -48.8 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -46.12 -26.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' A' ' 75' ' ' LEU . 27.9 mttt -66.41 -45.33 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -50.47 -56.46 11.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.0 t -74.93 136.14 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 137.87 -129.26 4.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -146.32 163.41 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -119.7 135.42 54.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -106.94 116.68 32.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.01 134.34 41.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.9 t -61.63 142.22 57.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.48 -41.56 46.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 60.3 m-85 -68.53 -52.19 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.6 p -117.86 -178.85 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.7 p -100.78 67.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -116.37 122.21 44.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.4 p -105.35 138.28 41.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 29.5 p -141.57 170.99 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 59' ' ' LYS . 86.8 mt -113.02 41.72 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -162.62 121.16 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.13 -47.25 81.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.61 -38.5 95.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -56.01 -39.97 72.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 67' ' ' CYS . 19.7 tp -63.68 -55.58 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -49.33 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.94 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -56.07 -38.69 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.6 mt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 12.1 mm-40 -93.33 -22.01 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -98.89 -41.86 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.06 -64.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.9 m-70 -72.2 -31.61 66.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -118.51 166.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -116.66 151.41 36.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.8 pt -86.4 134.07 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.85 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -170.66 175.27 4.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -157.99 178.76 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 161.54 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -153.93 179.06 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.812 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.87 169.06 25.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.79 -168.47 12.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -152.47 134.17 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.6 mt -102.68 140.04 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 55.3 m-85 -109.48 98.71 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 17' ' ' LYS . 22.9 m -96.14 142.52 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.4 t -88.85 124.22 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -88.38 32.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CE1' ' HG2' ' A' ' 13' ' ' GLU . 30.5 m-85 -128.87 -43.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.74 21.36 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m120 46.09 52.07 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 11' ' ' THR . 27.1 mttt -106.13 172.49 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.88 127.8 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CZ ' ' CG ' ' A' ' 28' ' ' HIS . 56.5 m-85 -124.69 119.96 30.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -65.11 -38.82 91.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -94.94 153.65 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 9.8 ttmt -69.3 -62.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -48.51 -43.78 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -46.44 -41.39 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 10' ' ' PHE . 20.9 tp -76.37 -55.49 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 22' ' ' LYS . 6.9 mp0 -46.47 -50.79 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 -20.25 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CG ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 t60 -82.54 -45.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.7 mt -49.36 -19.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -49.51 -50.67 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 32' ' ' HIS . 9.8 pt -53.4 -24.2 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 -90.75 -52.91 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.5 p -102.1 89.91 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -113.52 112.48 23.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -106.68 -36.32 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 29.6 mttt -45.5 129.9 6.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.47 ' HB3' HD22 ' A' ' 53' ' ' LEU . 37.5 m-85 -71.08 102.8 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -104.4 144.53 31.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.4 t -73.12 128.34 87.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -0.51 7.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.743 2.295 . . . . 0.0 112.336 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -112.05 -67.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.56 -174.51 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.2 p -83.93 28.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.2 t80 -85.34 125.72 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -136.89 165.15 26.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -166.88 117.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.71 -23.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.04 138.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 17.8 mmtt -67.47 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' LYS . . . -37.47 -50.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -46.64 -45.44 19.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 38' ' ' TYR . 22.1 tp -68.09 -53.25 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -45.12 -48.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.66 -37.3 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -58.9 -49.36 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -48.54 -33.96 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -73.82 -26.15 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -72.7 -21.48 61.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -65.22 93.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 78.9 p -150.17 143.99 25.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -119.29 -117.06 2.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -100.76 124.39 46.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -82.28 159.81 23.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.7 109.12 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.58 145.5 26.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.663 ' HA ' HD11 ' A' ' 80' ' ' LEU . 47.2 t -77.54 141.06 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.06 -44.92 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 55.6 m-85 -66.51 -59.1 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -114.02 -176.15 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 m -99.85 72.03 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -119.27 130.48 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -117.63 141.03 48.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 4.9 t -137.96 167.34 21.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.2 mm? -79.3 -41.96 26.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.6 m -102.19 170.15 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' GLY . 29.2 tttm -86.82 -54.78 4.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . . . -38.5 -50.9 2.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.456 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -48.04 -49.1 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 67' ' ' CYS . 35.7 tp -53.98 -56.04 21.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -54.32 -44.6 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.41 -30.02 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.4 t60 -70.56 -36.28 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -77.61 -30.68 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 5.5 mm-40 -84.37 -19.8 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -100.43 -46.57 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.38 -60.84 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 85.8 m-70 -77.67 14.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 19.6 mmtp -154.06 155.51 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -47.49 149.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.4 mt -95.09 95.06 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -133.26 167.81 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -128.68 -55.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.87 -158.13 19.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -172.89 173.04 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -159.83 158.98 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.6 135.23 3.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.59 -177.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.3 mt -139.44 143.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.407 ' HB3' HD22 ' A' ' 25' ' ' LEU . 96.5 m-85 -110.58 112.74 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.3 m -109.05 125.56 52.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 t -69.06 127.02 31.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.28 27.13 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 38.8 m-85 -122.32 -38.24 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.28 21.51 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 29.4 t30 47.3 48.96 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' O ' HG23 ' A' ' 11' ' ' THR . 21.9 mttt -104.66 170.26 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -134.82 134.3 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 25' ' ' LEU . 34.8 m-85 -130.37 126.54 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -57.41 -49.13 77.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 87.2 m-85 -98.08 156.17 16.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -74.5 -49.83 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 27.3 p80 -50.85 -46.29 60.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 m -52.6 -45.11 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 10' ' ' PHE . 18.5 tp -67.98 -51.04 51.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -41.87 -61.0 1.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.68 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 6.4 t60 -60.81 -48.17 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.0 mt -42.58 -23.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' HIS . 58.3 mtp180 -53.36 -47.07 69.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.3 pt -45.72 -22.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' ILE . 83.2 m-70 -94.5 -62.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 t -102.49 132.01 48.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 72.38 50.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -91.44 164.14 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ALA . 21.2 mttm -75.82 150.16 83.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.76 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' HD2' ' A' ' 50' ' ' LYS . 67.4 m-85 -82.61 124.19 29.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.35 145.26 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -72.82 120.72 82.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.1 Cg_endo -69.75 -3.27 11.67 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -105.24 -46.73 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 31.0 p -134.16 -174.8 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -68.67 -22.62 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CB ' ' SG ' ' A' ' 43' ' ' CYS . 21.3 t80 -38.64 134.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' C ' ' HD3' ' A' ' 36' ' ' LYS . . . -140.78 154.9 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.2 m -143.55 154.25 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.45 -34.71 47.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mt -94.78 149.45 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' HD2' ' CD1' ' A' ' 38' ' ' TYR . 13.7 tptm -68.63 -53.58 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -54.21 -56.02 22.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 51' ' ' ALA . 47.8 t-20 -34.9 -52.26 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.98 -54.91 40.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.584 ' HA ' HD12 ' A' ' 57' ' ' LEU . 77.4 m-20 -38.67 -40.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.6 -53.8 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -47.14 -43.03 20.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 54' ' ' ASN . 50.4 mt -50.11 -31.59 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -55.98 -36.72 68.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -78.1 55.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.3 p -123.98 -43.54 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.97 -112.49 0.59 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -154.96 143.92 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.955 0.407 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -124.38 165.53 17.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -118.46 123.18 44.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.62 151.95 18.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HA ' HD11 ' A' ' 80' ' ' LEU . 30.9 t -82.64 141.61 32.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -72.46 -47.42 48.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -65.14 -59.64 3.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.3 p -104.19 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 34.26 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.75 155.61 26.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.1 p -140.77 146.71 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.4 t -144.97 145.39 31.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.96 -38.68 92.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.0 p -103.48 154.44 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -80.15 -52.71 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.92 -35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -70.37 -36.95 74.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 67' ' ' CYS . 15.2 tp -61.81 -40.62 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -64.13 -58.84 5.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.4 p -53.87 -30.87 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 87' ' ' VAL . 3.1 t60 -63.8 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 63.1 mt -73.74 -20.94 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 62.1 mt-10 -93.93 -22.42 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 mtt-85 -101.58 -24.33 14.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 83' ' ' HIS . 42.6 t -102.41 -64.13 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 84' ' ' ILE . 90.5 m-70 -70.69 -9.88 58.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 35.5 mmtt -134.96 72.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -82.34 43.52 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 91' ' ' ILE . 5.2 mp -108.54 80.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -138.34 123.32 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -150.27 106.08 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.24 47.54 0.98 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -102.33 90.46 3.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -174.86 163.78 3.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.91 -174.24 16.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -118.87 -178.69 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.74 0.305 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.1 137.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.765 ' HB3' HD22 ' A' ' 25' ' ' LEU . 98.0 m-85 -106.05 90.0 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 95.3 m -104.29 106.15 16.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' LYS . 8.0 t -51.39 134.15 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -97.42 33.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -129.34 -50.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -109.78 5.7 22.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 63.17 34.17 13.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' CYS . 33.3 mttt -98.94 161.61 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 11' ' ' THR . 5.5 p -141.59 139.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 1.4 m-85 -125.69 132.27 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.96 -28.04 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -107.95 158.12 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -81.89 -49.05 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -52.35 -38.4 58.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t -56.98 -60.9 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 10' ' ' PHE . 4.2 tp -57.46 -53.19 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -40.36 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.02 -35.04 74.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 26.5 t60 -67.65 -54.14 22.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.43 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 28' ' ' HIS . 83.7 mtt-85 -50.47 -51.09 50.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.9 pt -53.53 -24.62 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.462 ' N ' HG13 ' A' ' 31' ' ' ILE . 76.9 m-70 -89.72 -47.13 8.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.4 p -89.43 49.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -128.45 88.49 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -121.58 41.6 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 28.1 mttt -130.95 98.06 19.66 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.549 0.69 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.75 -48.84 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.426 ' HB3' HD22 ' A' ' 53' ' ' LEU . 65.5 m-85 -69.47 113.25 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -111.97 149.44 31.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -82.17 126.3 74.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' HD21 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.77 -4.75 14.67 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 60' ' ' HIS . 10.0 mt-30 -107.28 -62.44 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 18.4 p -112.5 -177.35 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -83.64 35.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 4.1 t80 -89.2 123.5 33.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.22 154.54 46.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 t -163.51 159.61 22.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -83.55 36.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 48' ' ' ALA . 4.1 mt -148.51 137.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -81.82 -40.15 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.48 -54.33 48.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.7 -52.56 22.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 38' ' ' TYR . 31.9 tp -52.61 -56.09 17.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -42.69 -51.25 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 56' ' ' HIS . 57.5 t -64.04 -62.04 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' VAL . 32.0 t60 -35.28 -47.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 HD21 ' HD2' ' A' ' 41' ' ' PRO . 85.7 mt -46.07 -46.68 17.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 59' ' ' LYS . 5.7 ptm180 -43.68 -42.92 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HE3' ' ND1' ' A' ' 56' ' ' HIS . 42.6 mtmt -49.91 -39.43 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 42' ' ' GLN . 64.5 m-70 -61.57 95.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -136.23 113.11 10.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.41 58.22 3.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.441 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -109.22 116.71 32.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -59.24 133.79 56.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 43.7 m-85 -89.8 112.97 24.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.52 134.59 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.9 149.77 39.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.31 -41.25 15.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 9.5 m-85 -71.97 -48.22 46.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.3 p -116.17 -178.63 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -98.14 39.36 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -83.08 154.88 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -144.04 144.3 31.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 22.2 p -139.84 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.5 -42.15 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -110.41 134.34 52.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 26.3 pttt -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.56 -45.24 8.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -57.4 -48.73 78.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -43.02 -50.8 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -50.65 -55.3 17.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG12 ' HG3' ' A' ' 86' ' ' ARG . 94.0 t -55.16 -43.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -57.16 -36.47 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 88' ' ' HIS . 42.8 mt -78.06 -37.7 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 44.2 mt-10 -74.3 -20.36 60.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HG3' HG12 ' A' ' 82' ' ' VAL . 20.9 mmt180 -100.01 -52.12 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.0 -58.1 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.435 ' HB2' HG23 ' A' ' 84' ' ' ILE . 91.1 m-70 -78.57 15.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 39.1 mmtt -155.04 177.69 11.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -138.12 106.35 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 pt -91.4 17.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -161.66 137.35 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.809 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -134.17 137.06 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.02 77.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -101.33 127.44 47.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -40.47 159.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.95 47.86 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -163.12 139.88 7.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.2 146.27 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.611 ' HB3' HD22 ' A' ' 25' ' ' LEU . 67.3 m-85 -111.74 94.47 4.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 m -98.85 114.25 26.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -56.98 131.05 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.12 20.05 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.695 ' HE2' HD22 ' A' ' 29' ' ' LEU . 20.3 m-85 -116.94 -43.48 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' ASN . 27.1 p -127.01 33.61 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' CYS . 22.8 t-20 35.11 48.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 19.8 mtpt -105.28 167.02 10.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 62.9 t -134.73 149.34 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 18' ' ' VAL . 35.6 m-85 -144.41 123.94 13.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -61.71 -38.82 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 83.9 m-85 -98.17 140.14 32.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 86.1 tttt -62.95 -51.7 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 24' ' ' SER . 36.5 p-80 -52.72 -46.09 67.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.461 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.1 t -45.5 -54.11 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -61.93 -54.65 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -41.66 -56.52 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.26 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.27 -42.08 72.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.695 HD22 ' HE2' ' A' ' 14' ' ' TYR . 96.0 mt -50.68 -17.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 32' ' ' HIS . 11.9 pt -56.2 -27.16 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.477 ' N ' HG13 ' A' ' 31' ' ' ILE . 97.3 m-70 -88.18 -61.44 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.2 76.63 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -97.39 151.75 19.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -124.78 16.84 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -104.23 94.52 6.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.943 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -51.3 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 78.0 m-85 -65.29 111.76 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -99.65 150.35 22.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.9 t -84.94 134.86 40.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.586 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.79 -30.73 21.65 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.291 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -77.68 -63.66 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 22.1 p -114.19 -175.42 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.8 m -85.01 28.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' CYS . 20.7 t80 -81.15 126.11 31.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.74 144.8 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 m -138.12 172.81 12.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.69 -50.01 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 51' ' ' ALA . 13.9 mm -72.12 139.63 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -63.16 -36.8 84.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -73.85 -45.98 47.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -42.43 -46.07 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 38' ' ' TYR . 58.2 tp -61.13 -45.85 92.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -56.37 -47.65 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.6 -30.96 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -71.33 -50.12 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.586 HD21 ' HD2' ' A' ' 41' ' ' PRO . 37.4 mt -47.37 -38.35 12.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -48.23 -42.46 30.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -52.4 -42.22 63.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.6 87.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 59.7 p -111.29 -29.22 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -169.43 145.87 9.69 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -64.8 111.0 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -51.68 107.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -67.11 108.61 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.75 128.77 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.4 t -57.84 143.81 41.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -84.3 -36.01 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CB ' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -71.81 -48.62 45.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -126.98 177.86 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -90.12 56.05 3.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -110.35 112.79 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 p -93.3 126.99 38.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.5 t -120.56 138.04 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 tp -78.79 -23.15 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.3 p -113.81 111.37 21.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -53.64 -27.89 29.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.63 -52.13 45.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.55 ' O ' HG12 ' A' ' 82' ' ' VAL . 7.9 t-80 -60.89 -41.73 96.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.67 -28.99 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -68.33 -52.56 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 79' ' ' HIS . 13.2 p -66.61 -25.33 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -64.24 -39.9 94.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 88' ' ' HIS . 72.5 mt -77.07 -25.6 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.2 mm-40 -83.13 -25.59 31.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 82' ' ' VAL . 10.9 mmm180 -99.91 -49.11 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.7 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.462 ' CE1' ' CB ' ' A' ' 69' ' ' TYR . 97.7 m-70 -79.27 16.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 17.3 mmtm -155.37 168.59 26.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.06 77.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 91' ' ' ILE . 11.1 tt -78.33 51.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 tttt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -143.97 114.38 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -69.07 -46.09 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 144.73 14.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -134.87 145.74 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -121.16 173.07 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.31 25.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 10' ' ' PHE . 14.6 ttpt -154.32 149.13 26.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.37 139.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' CE1' ' HE2' ' A' ' 8' ' ' LYS . 79.5 m-85 -124.74 107.74 11.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 17' ' ' LYS . 24.1 m -92.34 127.21 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 t -72.6 126.9 30.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -89.21 30.94 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.1 m-85 -127.08 -49.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -119.72 19.64 12.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.67 42.53 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 11' ' ' THR . 32.0 mttp -98.24 179.14 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -140.47 144.51 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -137.83 152.0 48.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -88.38 -40.68 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 70.8 m-85 -99.65 150.14 22.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -54.49 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 12.4 p-80 -53.54 -37.18 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 m -53.76 -42.79 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -76.3 -52.84 9.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -45.06 -45.16 10.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CE1' HD11 ' A' ' 31' ' ' ILE . 52.2 t60 -69.72 -42.56 73.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.0 mt -47.97 -19.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -52.76 -47.77 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 28' ' ' HIS . 7.1 pt -66.61 -21.3 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 60.6 m-70 -89.63 48.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 p -141.72 142.44 33.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -56.58 90.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -145.62 175.12 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.8 mptt -53.41 114.55 6.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.313 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 87.1 m-85 -70.23 109.35 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.69 150.24 24.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' TYR . 45.1 t -84.54 133.91 43.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -39.31 6.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.396 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' OE1' ' SG ' ' A' ' 40' ' ' CYS . 20.6 mp0 -73.64 -57.67 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 20.8 p -117.64 -175.67 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 p -86.03 25.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.602 ' CD1' ' CD2' ' A' ' 56' ' ' HIS . 11.1 t80 -76.17 132.46 39.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -138.0 150.64 47.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.6 p -150.13 125.89 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.16 -39.4 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.539 HD12 ' ND2' ' A' ' 52' ' ' ASN . 26.2 mt -87.2 133.9 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 38' ' ' TYR . 15.7 mtpt -61.87 -61.58 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.88 -44.87 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.539 ' ND2' HD12 ' A' ' 49' ' ' ILE . 39.1 m-20 -52.04 -46.44 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 38' ' ' TYR . 29.4 tp -58.84 -53.55 57.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -45.38 -54.43 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 21.7 t -55.13 -29.01 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 36.5 t60 -81.46 -39.02 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.85 -53.3 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 55' ' ' VAL . 14.2 ptp180 -43.34 -29.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -62.37 -43.88 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -62.16 86.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.9 t -173.11 164.74 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.02 -43.94 1.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -106.81 110.69 22.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -114.66 147.46 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.671 ' HB3' HD22 ' A' ' 80' ' ' LEU . 82.9 m-85 -111.71 128.2 56.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.71 149.99 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 80' ' ' LEU . 38.3 t -81.64 141.79 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.41 -34.44 41.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 83.7 m-85 -77.06 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -121.35 -177.15 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.9 p -93.13 32.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.437 ' CD2' ' CG ' ' A' ' 83' ' ' HIS . 28.4 t80 -77.03 140.63 40.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.4 p -134.86 135.94 42.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.0 t -137.84 161.78 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.4 41.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 79' ' ' HIS . 4.2 t -168.07 121.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 20.5 pttp -55.05 -38.57 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.24 39.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.452 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 19.4 m-70 -51.82 -42.85 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 65' ' ' PHE . 34.0 tp -56.26 -51.44 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -56.58 -50.83 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.599 HG12 ' HG3' ' A' ' 86' ' ' ARG . 96.9 t -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' CG ' ' CD2' ' A' ' 72' ' ' PHE . 3.6 t60 -53.34 -35.84 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.416 HG23 ' HB2' ' A' ' 88' ' ' HIS . 57.4 mt -77.57 -37.77 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 28.9 mt-10 -74.7 -20.82 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.599 ' HG3' HG12 ' A' ' 82' ' ' VAL . 12.8 mmt85 -99.82 -51.79 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 38.9 t -78.32 -57.87 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 87.4 m-70 -79.09 16.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 18.3 mmtt -155.53 168.09 28.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -52.03 143.01 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.02 101.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -156.62 156.59 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 p -130.26 165.41 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.813 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.74 -58.7 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m 56.66 42.46 26.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -119.72 97.34 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.83 -84.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -112.0 178.44 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.0 mt -134.67 134.04 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.626 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.5 m-85 -95.23 97.86 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 17' ' ' LYS . 72.7 m -105.93 125.39 50.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.51 114.88 15.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.31 -20.63 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' CD2' ' CB ' ' A' ' 32' ' ' HIS . 13.6 m-85 -71.17 -59.83 2.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASN . 26.2 p -109.26 30.33 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.6 m-20 33.61 46.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' THR . 13.0 mtpp -99.43 174.45 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.48 133.68 28.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -127.78 129.43 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 7.9 mtpp -84.16 20.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 51.2 m-85 -152.41 136.69 16.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -61.88 -54.19 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 13.0 p80 -55.3 -43.24 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 m -51.69 -45.72 63.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 10' ' ' PHE . 24.6 tp -69.86 -43.94 70.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -50.86 -55.72 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.71 -24.63 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -74.73 -53.09 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 33' ' ' THR . 52.8 mt -45.68 -21.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -49.76 -27.74 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 32' ' ' HIS . 8.2 pt -85.52 -25.73 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 31' ' ' ILE . 98.9 m-70 -95.55 26.02 4.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 29' ' ' LEU . 76.1 p -115.42 45.37 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -133.78 116.99 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 1.2 pm0 -163.78 121.63 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 35' ' ' GLU . 2.9 mppt? -149.24 133.46 8.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.6 Cg_endo -69.79 -51.26 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.326 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 26.9 m-85 -69.18 128.93 38.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -126.64 140.05 52.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.4 t -69.28 123.66 88.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.75 6.05 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 3.7 mm-40 -117.05 -66.13 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.5 p -110.26 -174.6 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -83.82 32.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.753 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 5.3 t80 -90.98 118.55 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.06 156.1 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 m -154.93 145.35 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -79.88 42.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' LYS . 5.1 mt -152.71 172.37 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' ILE . 13.0 mttp -103.46 -47.3 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.39 -57.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -41.42 -55.58 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 38' ' ' TYR . 55.2 tp -53.51 -57.12 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -45.12 -39.56 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -72.35 -55.58 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.753 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 10.2 t60 -41.47 -41.13 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 41' ' ' PRO . 70.2 mt -51.77 -40.8 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -32.37 17.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.655 ' HB3' HD11 ' A' ' 75' ' ' LEU . 86.5 mttt -60.31 -39.29 86.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 42' ' ' GLN . 48.7 m-70 -54.32 -52.31 61.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 t -76.86 47.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.55 -175.74 26.92 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -85.83 117.66 24.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -124.58 157.38 35.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -105.39 112.77 26.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 134.99 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -73.47 140.82 46.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.86 -42.94 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.423 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 70.4 m-85 -68.16 -62.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 15.1 p -110.49 -177.02 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.8 t -99.05 65.49 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 74' ' ' CYS . 35.2 t80 -110.13 129.59 55.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.9 p -119.97 128.77 53.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t -136.31 172.64 12.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' ' 59' ' ' LYS . 4.4 mp -113.68 47.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -168.84 110.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -48.57 -36.63 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -43.54 92.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.83 -32.81 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -66.46 -35.71 80.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -70.32 -63.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 86' ' ' ARG . 14.5 p -49.94 -23.41 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -74.07 -43.56 57.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.57 -21.88 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 35.0 mm-40 -92.83 -23.07 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HG3' HG22 ' A' ' 82' ' ' VAL . 5.1 mmp_? -99.68 -50.56 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.36 -60.0 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.5 m-70 -76.73 13.62 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 24.4 mmtm -153.35 138.69 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -134.44 78.94 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 16.7 pt -88.66 131.32 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -171.48 112.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -125.56 146.26 49.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.88 168.6 39.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -161.94 155.72 21.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -158.54 175.93 13.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.94 143.84 11.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -119.54 136.26 54.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 mt -107.43 143.36 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.531 ' HB3' HD22 ' A' ' 25' ' ' LEU . 72.3 m-85 -108.2 106.33 16.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 17' ' ' LYS . 28.2 m -107.31 126.69 52.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.0 t -72.16 132.28 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CE1' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -95.38 30.49 2.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 18.4 m-85 -126.47 -46.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 p -123.15 21.5 9.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 48.18 46.36 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 11' ' ' THR . 32.2 mttm -99.28 171.45 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 58.2 t -143.67 139.24 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -135.45 144.25 46.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -69.44 -53.8 17.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.578 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 96.8 m-85 -91.61 158.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -75.99 -36.62 59.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 21' ' ' PHE . 34.4 p80 -56.7 -48.84 76.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 13.1 p -48.22 -52.48 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 10' ' ' PHE . 11.5 tp -66.42 -46.39 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -49.98 -44.48 50.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.41 -11.97 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -89.52 -36.53 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.29 -18.35 36.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -48.3 -50.28 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' HIS . 15.7 pt -60.89 -33.83 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 77.0 m-70 -79.07 9.45 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 p -130.87 157.35 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -58.18 116.61 3.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -39.93 155.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -43.66 127.69 3.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -44.73 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.716 2.277 . . . . 0.0 112.377 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 19.7 m-85 -83.02 127.51 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -121.15 145.07 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.0 t -78.34 133.75 63.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.65 24.94 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' OE1' ' CG ' ' A' ' 60' ' ' HIS . 36.7 mt-30 -79.45 -60.08 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.37 -174.88 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.0 m -84.38 23.22 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -76.16 115.35 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.94 139.3 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -127.7 152.14 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.06 -11.77 59.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.9 mm -122.22 133.9 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 38' ' ' TYR . 4.9 mmtp -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.94 -46.0 89.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -42.58 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.7 -41.37 97.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' HA ' HD12 ' A' ' 57' ' ' LEU . 22.7 t30 -55.51 -40.7 72.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.51 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -55.92 -47.87 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 54' ' ' ASN . 26.1 mt -48.13 -47.82 34.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -48.45 -28.26 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -67.26 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CG ' ' OE1' ' A' ' 42' ' ' GLN . 22.2 m-70 -42.15 -46.69 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 60' ' ' HIS . 38.2 p -36.22 -40.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.74 177.88 17.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.46 148.17 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.92 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -125.7 143.46 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 80' ' ' LEU . 87.5 m-85 -117.24 111.09 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.88 136.16 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.8 t -64.96 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -77.25 -23.45 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 40.8 m-85 -87.43 -52.19 5.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 p -118.42 -177.45 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -93.75 34.4 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -80.45 123.93 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -112.82 136.38 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.94 173.67 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.24 36.64 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.4 p -170.78 116.73 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -43.62 -52.1 6.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.91 -63.79 1.87 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -43.07 -50.42 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.36 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 65' ' ' PHE . 5.8 tp -53.94 -51.3 64.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -57.18 -59.17 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 -26.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.479 ' ND1' HG21 ' A' ' 87' ' ' VAL . 7.3 t60 -66.36 -36.01 81.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -77.48 -29.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.454 ' C ' ' HB2' ' A' ' 89' ' ' LYS . 6.6 mm-40 -81.82 -21.86 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -99.93 -47.21 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.479 HG21 ' ND1' ' A' ' 83' ' ' HIS . 52.3 t -77.87 -63.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 86.7 m-70 -78.97 18.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 85' ' ' GLU . 10.4 mmtp -155.49 168.76 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 tttp 63.05 26.08 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.9 mm -118.17 132.27 68.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -54.45 174.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -109.17 -51.75 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.3 -165.48 34.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.528 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -146.52 165.92 28.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -162.23 164.06 27.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.29 122.31 6.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -54.38 -176.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.5 mt -130.96 142.27 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -109.83 108.41 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 17' ' ' LYS . 91.4 m -108.1 125.28 51.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.97 132.97 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -96.64 32.25 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -130.44 -35.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -130.55 11.35 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 23.5 t30 54.42 47.39 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.854 ' O ' HG23 ' A' ' 11' ' ' THR . 28.0 mttp -102.36 -177.76 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -143.88 145.37 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -141.25 130.77 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.59 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 39.2 m-85 -105.16 154.8 19.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -75.78 -51.07 13.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 43.3 p-80 -48.28 -43.43 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -52.76 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.3 tp -61.03 -41.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 44.3 mt-30 -57.26 -50.22 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' C ' ' HD3' ' A' ' 30' ' ' ARG . . . -69.49 -20.55 63.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.2 t60 -78.98 -53.34 7.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' HIS . 26.1 mt -37.42 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 28' ' ' HIS . 1.5 mpt_? -52.12 -55.24 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 32' ' ' HIS . 5.0 pt -47.31 -23.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 31' ' ' ILE . 74.1 m-70 -89.83 -56.73 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 p -70.07 177.85 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -71.13 84.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -49.72 152.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.85 137.6 62.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 49.0 m-85 -69.9 129.42 39.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.57 148.39 44.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' TYR . 49.0 t -75.96 128.76 82.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -1.66 8.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -110.59 -61.71 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.5 p -114.53 -176.1 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -83.53 37.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' CYS . 8.7 t80 -93.65 115.62 28.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.18 38.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -138.97 153.27 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.45 -27.6 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 51' ' ' ALA . 29.4 mm -106.38 126.09 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 5.9 mmmt -49.68 -41.82 44.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -64.07 -43.71 94.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.28 -39.85 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.31 -36.41 76.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -64.98 -27.55 68.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 51' ' ' ALA . 57.7 t -79.57 -33.96 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -67.56 -42.49 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.7 mt -54.24 -37.28 64.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -55.21 -19.74 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -74.17 -45.6 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -53.55 -64.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 t -57.24 143.22 40.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.88 -160.41 21.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' PHE . 9.1 pt-20 -122.47 -178.7 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.961 0.41 . . . . 0.0 110.837 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.629 ' HD2' HG21 ' A' ' 73' ' ' THR . 7.8 ttpp -84.3 130.02 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.653 ' HB2' HD22 ' A' ' 80' ' ' LEU . 12.9 m-85 -116.23 119.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.63 130.85 34.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.0 t -65.78 138.92 58.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.09 -36.9 72.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.7 m-85 -75.28 -59.64 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 p -108.54 -174.84 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -98.32 31.94 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -78.24 139.98 38.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.629 HG21 ' HD2' ' A' ' 64' ' ' LYS . 2.4 p -132.65 143.15 49.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 2.1 t -145.04 147.69 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 75' ' ' LEU . 3.7 mm? -75.88 -6.31 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -125.78 127.92 46.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 13.0 ptmt -68.72 -36.86 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 77' ' ' LYS . . . -56.32 -39.7 83.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' O ' HG12 ' A' ' 82' ' ' VAL . 6.2 t-80 -72.56 -36.34 68.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 65' ' ' PHE . 17.7 tp -59.31 -35.48 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -56.2 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 79' ' ' HIS . 7.4 p -59.0 -38.22 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.5 ' HD1' HG21 ' A' ' 87' ' ' VAL . 7.9 t60 -51.71 -40.81 60.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.3 mt -75.78 -19.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 89' ' ' LYS . 19.8 mt-10 -93.21 -22.93 18.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -100.55 -47.57 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.5 HG21 ' HD1' ' A' ' 83' ' ' HIS . 44.5 t -78.2 -62.64 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 83.9 m-70 -71.63 -35.51 70.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -112.59 155.52 24.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -128.52 144.47 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 tt -116.74 149.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -162.42 157.61 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.881 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -159.16 173.2 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.61 169.11 38.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -146.33 177.66 8.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -166.53 177.67 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.34 -155.81 27.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -124.35 150.13 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' CG2' HG13 ' A' ' 18' ' ' VAL . 23.2 mt -109.18 141.3 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -114.45 94.42 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 17' ' ' LYS . 7.4 m -84.62 144.33 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.6 t -91.1 124.5 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -88.1 34.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 5.7 m-85 -130.66 -42.01 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -130.48 27.8 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 41.28 45.26 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 11' ' ' THR . 20.7 mtpt -100.02 176.59 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 9' ' ' ILE . 57.8 t -139.22 128.76 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -124.73 115.71 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HG3' ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.52 -13.94 25.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 20' ' ' LYS . 87.8 m-85 -118.87 145.03 46.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.32 -52.79 16.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 7.3 p80 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -53.48 -43.62 68.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.56 -48.0 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -47.2 -61.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.08 -40.48 61.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' LEU . 17.9 t60 -60.8 -54.69 42.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' HIS . 24.6 mt -34.83 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -45.66 -49.05 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 28' ' ' HIS . 2.0 pp -49.69 -34.69 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 14' ' ' TYR . 74.2 m-70 -73.86 -52.56 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 121.66 31.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -172.49 -179.53 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -137.08 137.26 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -138.21 113.24 8.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 29.4 m-85 -71.49 101.66 2.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -100.76 132.12 46.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.2 t -65.09 122.79 81.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 0.28 5.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.48 -57.13 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 45' ' ' TYR . 19.3 p -120.74 -175.73 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 m -83.89 33.68 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.407 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 8.1 t80 -92.9 116.17 28.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.12 146.08 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -145.23 161.7 38.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.9 -20.29 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.15 126.73 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 38' ' ' TYR . 6.2 mmtp -56.34 -52.1 65.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.0 -52.85 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -47.1 -45.59 22.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.7 tt -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -53.11 -43.54 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.3 -36.24 74.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -61.28 -54.86 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -39.34 -37.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -44.45 -51.89 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' THR . 66.6 mttt -46.75 -49.65 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -52.71 86.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 59' ' ' LYS . 34.4 p -114.23 171.67 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 80.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -141.25 165.0 28.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -99.11 154.09 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -111.89 109.48 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.82 127.28 38.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HA ' HD11 ' A' ' 80' ' ' LEU . 42.6 t -53.69 141.99 24.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.42 -40.66 50.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 50.5 m-85 -68.78 -58.08 4.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.8 p -113.66 -176.4 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.5 m -100.67 70.85 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 42.0 t80 -120.42 119.06 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -103.04 135.73 44.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 2.1 t -136.67 171.4 14.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.77 43.63 1.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -167.44 151.96 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -81.15 -50.51 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.31 -43.77 98.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -52.24 -42.25 63.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 67' ' ' CYS . 49.6 tp -59.67 -55.22 37.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -52.51 -51.33 60.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.31 -41.48 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.58 -41.96 86.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.6 mt -71.54 -22.91 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 25.1 mt-10 -93.14 -21.47 19.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.69 -23.76 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 80.7 t -102.61 -64.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 89.7 m-70 -71.43 -11.45 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -135.0 45.11 2.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -76.09 -23.06 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 19.8 mm -53.79 124.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -149.12 154.39 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -125.28 -60.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.61 175.02 33.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -159.18 137.39 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -100.73 81.74 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 161.66 23.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.96 179.21 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.4 mt -138.17 139.84 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -107.49 95.97 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -94.9 100.7 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LYS . 5.8 t -42.15 115.17 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' OE2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -86.2 32.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.532 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 83.8 m-85 -127.59 -42.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.1 p -126.74 25.55 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 25.5 t-20 47.01 46.11 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' CYS . 18.4 mtpt -107.8 170.1 8.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -133.71 135.61 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CZ ' ' CD2' ' A' ' 28' ' ' HIS . 44.5 m-85 -130.26 132.24 45.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HE2' ' CZ ' ' A' ' 21' ' ' PHE . 22.4 ttpt -73.07 -35.25 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 3.2 m-85 -103.39 138.61 39.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -64.08 -52.21 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 21' ' ' PHE . 7.1 p-80 -53.29 -45.13 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.402 ' N ' ' CD2' ' A' ' 23' ' ' HIS . 3.3 m -50.72 -39.43 51.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -75.47 -40.79 56.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -52.29 -45.29 65.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ARG . . . -76.89 -13.2 60.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t60 -93.0 -15.81 25.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' HIS . 39.3 mt -81.67 -34.28 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -43.36 -32.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CG1' ' N ' ' A' ' 32' ' ' HIS . 2.2 pt -70.3 -38.47 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.2 m-70 -74.55 -61.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -79.64 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -168.6 149.09 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -132.51 -42.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' A' ' 48' ' ' ALA . 50.0 mmtt -142.78 153.33 61.1 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.77 -38.44 7.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.467 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 83.2 m-85 -84.33 118.71 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -115.47 148.35 39.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 45.7 t -84.8 121.87 74.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.09 4.78 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -108.82 -54.85 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.21 -174.59 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -82.4 38.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CD2' ' CE1' ' A' ' 56' ' ' HIS . 7.8 t80 -95.09 128.48 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.39 141.54 35.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.2 m -142.57 127.23 18.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . -44.09 -48.08 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.6 mt -88.14 134.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -65.92 -43.9 86.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.98 -55.21 7.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -53.66 -52.7 59.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.5 -50.16 68.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -45.9 -43.12 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.98 -36.05 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.487 ' CE1' ' CD2' ' A' ' 45' ' ' TYR . 28.7 t60 -60.44 -42.58 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.9 mt -52.67 -44.43 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 61' ' ' THR . 0.2 OUTLIER -46.9 -39.97 13.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -54.26 -39.72 67.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -62.3 83.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' ARG . 8.3 p -126.24 174.51 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.6 -116.87 1.87 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -124.82 128.91 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.958 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -99.72 155.23 17.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -116.03 105.44 12.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.18 130.86 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 80' ' ' LEU . 49.2 t -57.99 134.23 56.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.49 -32.01 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 37.5 m-85 -84.99 -67.52 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -97.53 -176.75 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.0 t -97.33 40.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 74' ' ' CYS . 24.3 t80 -88.43 119.11 28.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.3 p -101.94 135.45 43.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.456 ' HB2' ' CE2' ' A' ' 72' ' ' PHE . 39.9 t -131.85 157.25 44.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.8 mt -78.82 -41.99 28.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -94.47 161.41 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -86.75 -62.28 1.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.51 -52.67 2.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.54 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -46.85 -57.24 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 67' ' ' CYS . 28.2 tp -42.59 -52.76 4.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -53.05 -52.4 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.62 -37.98 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' ND1' HG21 ' A' ' 87' ' ' VAL . 3.8 t60 -63.26 -38.62 91.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 80.7 mt -75.74 -20.43 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.1 -23.77 18.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -99.7 -47.31 5.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.461 HG21 ' ND1' ' A' ' 83' ' ' HIS . 38.5 t -77.21 -63.06 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.437 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 84.0 m-70 -72.02 -35.88 69.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 168.91 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.12 131.63 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 91' ' ' ILE . 2.6 pp -112.16 151.85 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -175.02 159.94 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -172.82 156.37 3.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.6 -172.81 45.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -105.49 163.36 12.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -131.23 -64.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.52 -173.87 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -134.46 162.15 33.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -129.86 141.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 22' ' ' LYS . 50.4 m-85 -103.28 100.82 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.2 m -108.03 132.26 53.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.9 t -77.39 149.9 35.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -100.67 -15.26 17.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -79.88 -52.61 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASN . 21.3 p -114.91 26.16 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 49.7 m-80 35.28 43.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.682 ' O ' HG23 ' A' ' 11' ' ' THR . 25.5 mttt -93.2 175.91 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -138.01 146.05 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -143.6 115.05 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -47.81 -50.47 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -95.38 159.81 14.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 23.2 ttpt -79.19 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -44.12 -32.17 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 m -66.67 -40.24 88.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 10' ' ' PHE . 7.4 tp -72.96 -43.72 61.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -51.88 -51.63 55.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -26.98 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.4 t60 -71.27 -50.91 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.3 mt -40.82 -24.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 53.2 mtm180 -52.91 -47.51 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 28' ' ' HIS . 5.3 pt -58.48 -23.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.8 m-70 -88.57 -38.26 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.9 p -95.92 86.66 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 33.1 p-10 -166.89 170.18 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 34' ' ' ASN . 9.8 pt-20 46.44 45.34 13.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HD2' ' C ' ' A' ' 46' ' ' ALA . 8.0 mtmp? -128.51 109.85 19.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.571 0.701 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 53.8 Cg_endo -69.74 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 37' ' ' PRO . 28.5 m-85 -75.55 130.89 39.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -131.26 149.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' TYR . 40.8 t -101.46 114.02 65.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.15 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 0.0 112.394 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 4.1 mm-40 -99.78 -64.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' TYR . 26.9 p -118.34 41.95 2.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 m 39.63 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' CYS . 5.0 t80 -78.76 118.22 20.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.444 ' C ' ' HD2' ' A' ' 36' ' ' LYS . . . -119.69 147.44 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.2 t -148.75 149.11 30.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 49' ' ' ILE . . . -78.45 44.33 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' ALA . 2.7 mt -154.99 161.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -98.96 -46.16 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -57.95 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -40.09 -46.27 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 38' ' ' TYR . 18.6 tp -66.24 -56.84 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -41.65 -42.55 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.17 -48.05 29.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -51.6 -45.29 63.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.9 mt -51.95 -47.65 64.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -45.04 -45.1 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -47.0 -34.89 6.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 42' ' ' GLN . 79.0 m-70 -69.36 94.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.4 p -133.24 104.66 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.86 -147.43 4.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -117.16 125.19 50.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -82.91 112.6 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 77' ' ' LYS . 28.9 m-85 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.95 127.26 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.492 ' HA ' HD11 ' A' ' 80' ' ' LEU . 40.1 t -56.37 152.73 10.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -86.79 -43.32 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 84.5 m-85 -69.84 -46.42 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.0 p -117.53 177.68 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -96.83 37.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 74' ' ' CYS . 40.1 t80 -80.05 155.45 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.3 p -139.28 139.66 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.185 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 28.3 p -142.95 -177.69 5.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 ' C ' ' A' ' 74' ' ' CYS . 9.3 mp -121.86 41.86 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -173.82 108.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 28.2 pttt -45.85 -46.91 15.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.42 49.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -49.96 -45.15 51.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 HD11 ' HA ' ' A' ' 67' ' ' CYS . 8.7 tt -57.84 -56.43 22.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -43.14 -39.75 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.2 t -78.54 -42.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -54.49 -37.81 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.469 HD11 HD21 ' A' ' 80' ' ' LEU . 38.9 mt -76.96 -22.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 89' ' ' LYS . 80.9 mt-10 -93.4 -20.77 20.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -100.35 -39.42 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.1 -64.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 80.4 m-70 -71.75 -36.76 70.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -108.9 42.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -24.35 35.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 6.8 tt -95.34 31.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.7 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -128.15 135.27 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 m -148.57 144.34 27.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.22 132.07 10.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.533 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -152.69 174.76 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -102.75 78.62 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.16 137.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' C ' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -157.21 -175.67 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.697 0.284 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' C ' ' A' ' 8' ' ' LYS . 55.0 mt -151.86 136.24 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' HB3' HD22 ' A' ' 25' ' ' LEU . 80.0 m-85 -100.42 115.14 29.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -108.48 121.89 45.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.52 120.72 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -89.91 30.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -124.6 -42.86 2.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 p -129.08 26.31 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 44.96 52.76 8.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -110.39 170.3 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -137.59 135.45 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -133.74 115.77 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -54.26 -47.31 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -90.49 152.12 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -75.03 -52.99 9.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -52.48 -37.34 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -58.42 -43.7 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 10' ' ' PHE . 9.8 tp -70.37 -55.87 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -39.52 -53.79 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -64.59 -51.6 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -42.69 -25.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -49.02 -42.55 38.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 pt -55.27 -26.99 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -87.66 -55.74 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 p -70.51 94.52 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -119.46 85.89 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -118.95 -57.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.42 127.4 58.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 65.5 m-85 -75.6 107.03 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -109.29 141.35 41.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.0 t -74.59 121.69 85.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.36 8.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -105.9 -58.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.87 -176.4 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 m -82.56 44.19 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.485 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 3.0 t80 -103.38 122.57 45.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.51 155.33 49.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.8 p -153.07 131.07 11.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.63 -38.61 6.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -103.29 131.87 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 38' ' ' TYR . 8.5 ptpt -64.99 -43.2 93.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.06 -43.31 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -66.57 -38.88 88.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.01 -47.35 80.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -46.81 -45.07 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.33 -41.62 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -61.74 -54.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.3 mt -41.82 -42.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -44.72 -44.38 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -48.35 -50.16 31.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -50.84 97.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 75.9 p -142.27 163.86 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.4 70.32 0.96 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -139.28 161.87 36.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -68.61 126.58 30.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -105.73 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.05 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' CYS . 13.6 t -63.15 144.08 57.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -76.68 -38.54 54.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 31.3 m-85 -75.29 -47.4 28.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' CYS . 20.9 p -121.68 -177.68 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 t -97.55 47.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -96.11 117.28 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -100.77 133.55 45.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 30.2 t -129.92 147.53 51.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.82 -40.72 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.0 p -97.76 177.39 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.16 -59.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.92 -56.98 2.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -48.08 -47.99 33.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.78 -55.29 36.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -50.55 -49.92 54.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.43 -43.27 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' ND1' HG21 ' A' ' 87' ' ' VAL . 1.5 t60 -51.23 -39.12 55.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.436 ' O ' ' HG3' ' A' ' 89' ' ' LYS . 59.8 mt -75.68 -17.09 15.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 89' ' ' LYS . 45.6 mt-10 -93.2 -25.11 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -100.6 -44.13 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.418 HG21 ' ND1' ' A' ' 83' ' ' HIS . 53.8 t -77.25 -63.81 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.427 ' NE2' ' HB2' ' A' ' 69' ' ' TYR . 88.9 m-70 -71.12 -26.44 63.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 4.8 mtpt -129.71 177.75 7.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -160.89 123.09 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.49 107.31 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_