data_2ko3_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 2ko3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.871 0.367 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 153.07 37.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.81 -179.05 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -141.17 108.9 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.57 117.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -81.89 121.82 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.27 157.39 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -56.76 -22.62 37.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -83.11 -30.71 27.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.951 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.82 -13.24 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.845 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -71.05 131.66 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 115.05 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.3 118.66 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 134.79 33.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -174.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -149.5 118.66 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 pt -144.16 155.49 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.43 152.47 43.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.32 -23.27 23.08 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.568 2.179 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 m -82.27 -21.41 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.6 108.01 1.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -60.77 161.83 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 t -50.4 -43.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -51.14 -34.38 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -72.95 -41.27 64.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.04 -47.99 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.254 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -49.33 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.69 -37.05 72.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.662 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -62.55 -47.49 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -57.44 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.76 -27.13 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.358 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -77.43 -56.32 4.64 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -43.57 8.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.18 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.406 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 11.8 mt -137.57 140.04 28.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 52.9 Cg_exo -52.15 133.31 46.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.95 -41.23 2.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.108 . . . . 0.0 112.183 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -25.41 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -89.05 -25.84 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.211 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.14 158.71 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 116.1 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -89.51 109.03 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.3 130.33 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.417 ' CE1' HD23 ' A' ' 67' ' ' LEU . 10.6 t80 -152.32 132.06 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.1 36.12 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 28.07 64.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -142.13 125.01 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -64.78 122.13 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 63.6 mtp -71.88 117.36 13.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.76 143.01 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -51.92 -25.18 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.585 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.32 -21.15 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.553 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -88.52 -178.02 5.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -149.23 161.9 41.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.59 -46.43 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.03 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -32.38 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.1 m-85 -98.62 21.69 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.969 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.41 35.09 0.05 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.732 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.3 mt -70.61 100.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.37 171.03 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.71 113.87 4.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.78 -4.77 29.17 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -56.67 137.04 54.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 t -93.22 106.57 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD23 ' CE1' ' A' ' 45' ' ' TYR . 13.9 mt -95.93 129.32 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -91.79 106.0 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -85.97 138.05 32.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -75.3 148.53 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -141.92 149.71 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 114.59 28.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -96.15 121.26 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -81.24 120.9 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 155.41 28.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -20.7 31.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.302 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -34.11 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.008 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.79 -15.92 4.82 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -173.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -149.22 117.35 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.7 145.63 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.69 142.49 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.65 176.42 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -149.67 117.29 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 1.7 pt -144.3 150.95 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.45 151.42 42.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.76 -25.27 26.23 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.63 2.22 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -82.59 -23.34 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.93 109.91 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -61.0 160.37 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.11 -43.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -51.16 -33.56 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -73.03 -41.38 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.409 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 17' ' ' ILE . 39.9 mt -63.23 -47.82 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -49.25 72.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -57.49 -37.93 73.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -64.38 -42.46 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -60.72 -45.43 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.75 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.46 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.33 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.353 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.25 -56.28 4.69 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -95.94 -43.36 7.85 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.83 -28.18 3.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.9 mt -60.74 136.86 93.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.525 0.202 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.31 143.78 99.5 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.73 -41.0 2.42 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.146 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -50.66 -28.37 8.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -90.8 -26.17 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -71.24 149.36 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -141.76 120.47 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -89.07 146.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mm -138.04 142.88 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -152.04 113.22 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 m 61.04 29.73 19.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.764 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -1.0 86.7 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.757 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -96.82 111.84 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.29 127.52 32.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.432 ' CE ' ' CG ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -71.94 104.09 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.73 137.57 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -51.61 -26.11 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 -24.26 56.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.42 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -89.1 -178.8 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 p -149.26 162.82 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.32 14.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.414 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.18 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -31.88 70.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 19.9 m-85 -97.77 19.41 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.442 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.13 34.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.844 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -70.9 101.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.31 167.8 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.95 115.41 5.55 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.46 -10.53 21.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.654 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -56.08 136.63 52.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.06 106.0 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.8 mt -95.81 127.57 41.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -91.67 108.58 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.44 139.78 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.223 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.855 0.359 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.26 147.76 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -142.5 -178.33 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -140.34 111.39 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.78 112.46 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -82.0 122.74 28.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.31 144.1 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -19.15 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.46 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 m -81.24 -35.21 31.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.02 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.74 66.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.5 128.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.44 117.42 29.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -95.94 141.15 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -88.75 125.17 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.79 170.2 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -145.27 122.93 11.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.39 152.31 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.34 146.4 33.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.25 -23.77 24.37 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.53 2.153 . . . . 0.0 112.427 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t -82.47 -26.47 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.043 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.63 116.16 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -60.8 160.5 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -50.23 -43.68 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.19 -33.96 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.0 -41.21 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.64 -48.31 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.159 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -55.36 -48.17 74.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.701 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.72 -36.72 72.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -63.97 -42.8 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 t -61.89 -47.2 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.76 -57.6 10.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -53.43 -27.25 23.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.349 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -56.42 4.52 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 -43.42 7.65 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.38 44.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.4 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 HG23 HD13 ' A' ' 36' ' ' ILE . 33.1 mt -124.85 136.14 27.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.55 124.52 15.24 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.513 2.142 . . . . 0.0 112.187 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.42 -42.49 65.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.459 2.106 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.64 -30.43 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -90.79 -23.77 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.985 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.66 151.15 45.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.25 113.59 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.8 146.95 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mm -138.05 144.9 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.17 119.3 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 24.82 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.08 -9.74 71.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.13 121.33 37.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.74 126.77 28.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mtp -71.86 107.14 4.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -81.71 139.49 34.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -51.57 -26.01 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.507 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.83 -22.72 56.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.476 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -88.8 -177.63 5.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -149.33 161.13 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.32 -47.91 13.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.432 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.23 -45.02 61.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.03 -31.62 70.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.716 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 35.2 m-85 -98.47 22.08 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.52 35.35 0.06 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.794 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.93 96.39 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.49 175.14 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 103.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.93 -7.92 8.71 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.767 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -56.19 137.51 51.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.833 0.349 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.95 106.82 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.53 126.71 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -91.58 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.53 143.34 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tpp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 146.95 40.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.02 -176.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -140.52 118.26 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.71 119.49 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.058 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.63 123.25 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 153.58 29.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -21.25 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.0 m -82.43 -32.04 29.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.031 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -13.59 4.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.829 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 179.12 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.13 115.53 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -96.2 127.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.77 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -179.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -149.18 115.27 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.21 172.39 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.43 144.36 29.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.79 -21.26 31.88 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.463 2.109 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.1 p -82.47 -20.54 36.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.353 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.51 116.93 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -61.41 160.43 10.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.039 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.4 t -50.18 -44.3 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.0 -31.98 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -45.35 53.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.57 -47.02 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.228 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -48.78 73.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.93 -36.7 72.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -63.87 -41.75 97.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.562 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.39 -46.44 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.802 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.54 -56.67 16.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -52.93 -27.42 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.251 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -78.81 -56.29 4.52 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -97.24 -43.38 7.37 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 32.6 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.8 mt -110.98 136.25 20.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.561 0.219 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.01 117.88 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.579 2.186 . . . . 0.0 112.215 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.41 -40.53 70.92 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.088 . . . . 0.0 112.299 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.67 -28.62 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -91.0 -25.21 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -70.59 144.38 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.71 113.25 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tp -88.52 115.54 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 44' ' ' ILE . 21.3 mm -101.48 142.89 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.68 124.47 8.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m 61.48 20.36 11.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.21 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.46 -14.78 60.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.2 125.47 40.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.392 . . . . 0.0 110.968 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.97 125.39 24.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 85.6 mtp -71.77 115.04 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -81.78 140.28 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.2 -26.36 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.552 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -75.74 -19.37 59.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.608 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.37 -176.12 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 p -148.81 159.56 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.71 -48.54 15.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.54 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.08 -44.06 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.92 -30.72 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.426 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 33.7 m-85 -97.9 21.81 10.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.036 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.89 37.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.858 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.44 108.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.61 168.14 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.71 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -2.01 28.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.98 136.74 56.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.41 106.9 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.95 131.08 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -92.08 105.91 18.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -86.09 137.92 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.27 153.06 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -141.41 145.28 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.64 114.2 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' CG2' ' CD1' ' A' ' 15' ' ' ILE . 26.0 t -95.01 119.95 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -81.79 125.35 30.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 152.51 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.42 -20.32 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.401 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -29.18 32.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.56 -12.54 5.69 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.886 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -179.61 2.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -149.01 103.91 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -97.04 130.09 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.6 143.69 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.758 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -143.35 141.98 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 111.233 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.72 110.1 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.43 149.19 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.54 146.76 33.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.28 -24.03 25.53 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.559 2.172 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -82.68 -20.44 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.67 116.73 6.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -61.03 160.22 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 t -50.21 -44.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.275 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.24 -32.55 24.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -73.34 -42.89 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.441 HG23 HD13 ' A' ' 26' ' ' ILE . 49.4 mt -63.24 -47.49 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.292 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -50.6 68.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.712 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.98 -35.41 71.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -45.6 86.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.747 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.12 -46.85 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.07 -54.86 37.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.63 -27.26 26.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -56.38 4.62 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.84 -43.5 7.82 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.55 -26.75 4.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.591 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 36' ' ' ILE . 47.2 mt -59.94 137.04 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.507 0.194 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.17 142.27 86.07 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.456 2.104 . . . . 0.0 112.144 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -39.22 4.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.509 2.14 . . . . 0.0 112.403 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -50.61 -29.29 10.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.78 -25.51 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -72.34 154.3 41.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.32 116.37 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.17 107.08 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.2 mm -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.416 ' CD1' HD23 ' A' ' 67' ' ' LEU . 52.1 t80 -151.95 119.74 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 m 60.68 23.15 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.74 66.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.845 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -96.23 116.47 29.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 121.16 14.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.44 ' CE ' ' CD1' ' A' ' 59' ' ' TYR . 41.3 mtp -71.85 105.11 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -81.73 147.83 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -25.62 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.531 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.35 -25.59 57.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -89.16 -178.04 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.4 p -149.73 160.35 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.18 14.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -39.24 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.07 -34.03 71.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' CE ' ' A' ' 50' ' ' MET . 42.9 m-85 -97.67 23.5 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.59 38.48 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.9 mt -70.69 111.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.22 166.83 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.86 2.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.42 1.19 33.02 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.817 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.73 144.25 33.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.81 108.14 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 45' ' ' TYR . 14.2 mt -96.46 174.21 6.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -142.99 106.19 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -85.88 153.14 22.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 153.09 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -140.92 -176.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -141.14 114.98 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -96.27 127.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 124.04 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 138.57 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -17.42 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.385 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -80.7 -36.25 32.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.59 64.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.87 -173.36 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.67 112.27 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.98 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.5 mt -96.97 144.9 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.43 137.85 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.49 141.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 111.15 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.87 119.18 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.42 138.32 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -91.86 148.71 37.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 -29.5 58.44 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -83.05 -21.16 33.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.356 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.94 110.58 2.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.01 164.89 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.7 t -49.88 -46.11 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.336 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.09 -32.47 22.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -73.65 -44.98 55.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 mt -63.35 -45.9 96.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.279 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -54.57 41.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.953 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.04 -32.69 68.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -64.88 -46.0 83.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.612 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.88 -44.07 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.61 -55.83 25.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.06 -27.5 32.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -78.37 -56.31 4.55 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -95.67 -43.56 7.86 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -24.94 4.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.45 136.24 91.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.569 0.223 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.96 138.04 46.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.496 2.131 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.25 -45.05 33.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.396 2.064 . . . . 0.0 112.376 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.69 -28.93 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.6 -24.97 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.44 150.75 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -141.29 113.86 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -88.87 143.8 26.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.3 mm -138.03 142.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -152.11 122.66 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m 61.15 21.83 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.41 -14.25 61.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.754 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -96.37 122.67 39.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.13 136.05 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.415 ' HE1' ' CD1' ' A' ' 59' ' ' TYR . 2.0 mtp -71.94 119.28 15.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -81.76 133.71 35.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.79 -35.62 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.416 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.99 -13.51 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.691 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -88.83 -177.32 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -149.3 160.93 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.91 -45.56 15.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.409 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.36 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.93 -32.8 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 12.9 m-85 -98.6 21.62 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.68 34.6 0.06 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.774 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.06 99.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -91.13 170.67 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.35 116.23 6.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 -3.83 34.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.33 138.01 51.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 106.29 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -96.58 127.79 42.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -91.11 112.72 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.017 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 144.0 27.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.758 0.313 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.49 143.82 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.13 149.63 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -105.63 118.45 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.21 117.51 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 1.6 tttp -81.81 123.25 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 156.66 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.03 -21.46 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.332 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -29.63 30.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.047 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.34 -9.66 6.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 179.88 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.02 111.85 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.4 mt -96.33 130.63 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -87.79 137.69 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.37 -177.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.63 121.15 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.15 162.53 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.29 148.57 38.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.46 -21.82 25.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.621 2.214 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p -82.2 -23.85 35.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.168 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.72 107.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -60.9 166.26 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.04 -42.92 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.224 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.21 -33.43 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -45.61 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.52 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mt -62.24 -46.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -49.63 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.94 -36.28 72.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -42.59 96.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.6 t -61.44 -48.21 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.67 -55.69 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.15 -27.45 21.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.368 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -78.27 -56.34 4.53 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.48 -43.5 7.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 33.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.462 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.2 mm -111.94 135.99 21.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.529 0.204 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.33 125.24 15.85 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.472 2.114 . . . . 0.0 112.188 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.7 -46.92 28.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.506 2.137 . . . . 0.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -50.88 -27.97 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.83 -25.09 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -69.63 158.29 35.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -140.64 113.74 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.44 135.74 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -136.82 129.51 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' CG ' HD21 ' A' ' 67' ' ' LEU . 13.9 t80 -152.5 136.48 16.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.38 31.44 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.25 72.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.422 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -142.06 125.61 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.8 122.94 18.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.42 ' HE2' ' CE2' ' A' ' 59' ' ' TYR . 27.7 mtp -72.3 113.54 9.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.75 143.67 31.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -51.98 -25.37 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.532 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.49 -20.69 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.583 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -88.57 179.65 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.2 p -149.53 160.93 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.54 -50.61 12.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.488 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -42.13 61.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 39.9 m-85 -97.9 20.87 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.866 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -70.59 101.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.43 171.28 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.46 109.98 2.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.62 -10.9 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.747 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -56.31 133.4 52.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.35 99.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 45' ' ' TYR . 21.7 mt -95.84 135.05 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 6.7 m-70 -91.87 161.8 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -151.26 140.09 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.823 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.43 149.33 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 pt -142.12 -177.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -140.9 112.38 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.7 t -95.67 114.52 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -82.1 120.28 25.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.25 170.51 16.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -56.61 -26.32 55.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -83.06 -29.98 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.91 -0.79 15.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -71.24 120.98 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.09 103.94 16.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -96.07 138.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.0 130.19 35.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.02 142.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.8 126.95 37.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.6 139.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -91.37 147.43 35.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.89 -27.51 53.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.488 2.125 . . . . 0.0 112.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.7 p -83.15 -24.77 32.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 108.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -60.74 169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -49.66 -44.67 19.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.277 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -32.46 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -73.18 -42.27 62.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.81 -47.04 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.295 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -54.6 39.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.981 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -34.15 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -47.95 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.67 -43.39 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -53.57 -58.3 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.01 -27.27 30.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.131 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -77.87 -56.2 4.69 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.47 -43.56 7.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.17 -24.17 5.39 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 136.57 88.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.533 0.206 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.45 137.72 75.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.545 2.163 . . . . 0.0 112.226 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.4 -49.32 7.76 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.436 2.091 . . . . 0.0 112.464 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -50.37 -28.63 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.12 -26.16 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.828 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -72.27 109.04 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -99.74 121.42 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -88.32 143.6 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mm -137.88 124.9 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 17.1 t80 -152.52 139.47 19.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.639 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m 61.71 30.9 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.79 25.36 67.51 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.317 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -142.1 131.13 23.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 130.06 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.9 mtp -72.21 113.24 9.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.01 138.79 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -51.73 -25.43 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.537 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.37 -22.36 57.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.545 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 -178.34 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 p -149.53 164.29 35.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.77 15.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.433 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -42.61 61.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -31.08 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 17.3 m-85 -97.79 24.64 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.04 34.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.922 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.94 145.06 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mp -148.37 -178.48 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.98 119.08 12.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.34 -9.31 59.2 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.668 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -56.47 130.62 45.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.56 100.45 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 10.9 mt -95.65 140.14 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.752 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.77 164.9 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.917 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -151.15 140.23 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 tt -75.3 152.98 38.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -142.1 -178.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 112.51 7.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 p -96.35 122.81 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -81.85 132.83 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 157.16 27.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.95 -21.77 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.244 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.7 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.01 -2.82 6.84 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.857 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -177.15 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.787 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.45 103.91 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.25 133.83 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -88.58 132.95 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.51 141.5 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -91.02 118.92 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.2 142.02 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -91.42 158.59 40.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.87 -23.73 54.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.346 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -82.58 -23.56 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -64.63 115.24 5.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -61.09 158.92 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.7 t -49.8 -44.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.32 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -33.04 25.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.012 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -41.29 64.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.05 -48.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -49.17 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.828 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.87 -37.03 73.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -48.08 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.68 -43.35 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.14 -56.7 15.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.07 -27.35 32.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.327 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 -56.41 4.52 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.27 -43.32 7.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.36 -20.48 4.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.51 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.0 133.61 87.33 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.549 0.214 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.2 140.15 63.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.394 2.063 . . . . 0.0 112.083 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.77 -47.54 5.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.557 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -50.56 -31.17 14.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -91.54 -23.0 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -70.75 144.88 50.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -141.08 111.99 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 tp -88.28 144.71 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -138.06 143.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.997 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.417 ' CD1' HD22 ' A' ' 67' ' ' LEU . 24.1 t80 -151.91 131.89 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m 60.55 21.32 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.66 -15.01 59.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.752 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -96.11 120.09 35.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.05 127.38 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.418 ' HE3' ' CD1' ' A' ' 59' ' ' TYR . 42.1 mtp -71.98 103.12 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -81.8 146.71 29.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -51.23 -25.98 6.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.64 -25.72 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.372 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -177.39 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 p -149.2 160.7 43.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.37 13.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.4 63.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.36 -31.02 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CD1' ' HE3' ' A' ' 50' ' ' MET . 60.3 m-85 -97.58 23.31 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.66 35.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.0 mt -70.78 104.79 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.38 170.53 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.48 116.24 8.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.64 -6.33 41.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.804 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.9 m -57.1 136.91 56.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.358 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -92.47 107.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 45' ' ' TYR . 13.9 mt -94.97 133.06 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -91.52 105.47 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.53 139.23 31.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.815 0.341 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.26 153.05 38.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -142.33 -178.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -141.14 115.63 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.96 114.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -81.91 124.75 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.33 149.28 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -20.72 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 -32.01 29.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.0 -8.54 5.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.953 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -71.26 -177.36 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -149.23 109.45 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.5 mt -96.44 121.71 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -88.13 138.39 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -176.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.53 117.98 8.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.08 160.93 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.31 157.09 43.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.6 -24.2 56.07 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.585 2.19 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -82.79 -23.38 33.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.64 117.56 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -61.02 158.32 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.41 -43.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.23 -32.43 24.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -44.15 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.43 -47.88 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.264 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -48.37 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.78 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.74 -37.33 73.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -47.43 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.87 -42.55 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.31 -56.53 17.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.463 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.21 -27.34 33.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -56.25 4.66 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.72 -43.48 7.87 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.19 -23.35 4.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.66 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.8 136.59 83.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.02 141.95 49.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.515 2.143 . . . . 0.0 112.303 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.11 -45.14 24.98 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.456 2.104 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -50.67 -31.9 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.281 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.9 -21.43 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.18 99.76 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.038 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -99.14 106.55 18.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 tp -88.4 145.26 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -138.11 143.74 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -152.23 123.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 m 58.58 24.09 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.49 -9.0 72.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.961 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 121.77 38.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.07 126.7 28.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 mmm -71.97 105.28 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.61 135.11 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -51.85 -24.9 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.569 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.34 -22.8 57.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.405 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -88.76 -171.99 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 p -149.48 161.61 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.41 -52.62 9.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.525 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.32 56.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -33.24 70.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -97.72 23.94 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.72 34.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.0 mt -70.83 116.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.967 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.0 162.45 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.1 112.86 4.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.65 -3.21 30.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.811 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.12 142.78 41.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.23 111.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -95.93 134.45 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.713 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -91.55 105.49 17.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -86.47 138.17 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.3 150.42 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.12 179.34 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -141.79 114.31 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.92 118.78 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -81.73 127.22 32.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.45 155.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -21.27 35.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -82.28 -29.82 30.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.61 -13.97 5.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 178.53 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -149.35 116.43 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -96.31 140.29 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.4 137.67 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.62 -175.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -149.47 122.04 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pt -144.09 156.72 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -91.34 165.18 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.11 -24.9 58.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.52 2.147 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -82.94 -23.33 33.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.54 105.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -61.13 162.38 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.9 t -50.13 -43.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.218 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.09 -33.3 25.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -72.94 -41.67 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.325 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.2 -47.49 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -55.16 -48.4 73.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.775 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.29 -39.6 76.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.11 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -62.81 -46.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -58.15 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.26 -27.22 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.303 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -78.06 -56.35 4.55 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -95.3 -43.46 8.03 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.79 27.81 2.22 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.703 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.0 mt -111.56 136.11 21.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.507 0.194 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.96 144.07 99.35 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.502 2.134 . . . . 0.0 112.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.94 -44.27 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.522 2.148 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.8 -28.52 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -90.68 -25.14 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.2 143.48 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 123.48 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.32 147.45 24.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.6 mm -138.07 139.94 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -152.11 116.11 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 27.66 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.89 -6.34 79.07 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.02 111.97 23.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.99 120.22 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.425 ' HE3' ' CG ' ' A' ' 59' ' ' TYR . 19.1 mtp -71.92 116.54 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -81.66 144.26 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.89 -30.13 32.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.425 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.73 -12.53 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.789 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -88.88 -178.0 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 p -149.33 158.43 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.39 -47.71 13.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.78 61.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -34.98 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 28.3 m-85 -97.64 22.98 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.47 39.74 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.92 99.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.47 172.91 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.95 114.67 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.16 -0.61 38.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.766 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -56.72 136.74 55.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.55 106.14 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.15 127.33 42.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.1 110.17 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 133.97 33.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.115 -179.88 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.54 153.09 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.5 pt -142.18 -176.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -140.76 108.99 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -96.93 123.79 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.03 125.04 30.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 163.36 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.97 -22.9 29.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.289 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -83.3 -34.12 25.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.71 -17.04 5.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.7 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -70.96 127.53 32.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.43 115.62 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 mt -96.07 138.8 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.04 138.96 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.28 -176.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.54 116.39 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.27 159.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.29 154.01 44.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.59 -25.6 54.7 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.1 m -82.89 -23.31 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -65.06 118.04 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -61.39 164.61 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.29 -42.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.333 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -51.06 -34.5 30.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -41.0 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.355 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.97 -48.57 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.244 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.06 70.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.661 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.95 -34.51 69.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.51 86.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.09 -44.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.75 -55.72 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.0 -27.32 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.263 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -77.52 -56.3 4.65 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.61 -43.58 7.87 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -26.09 4.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.46 137.05 94.61 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.596 0.236 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.57 148.27 92.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.449 2.1 . . . . 0.0 112.247 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 -40.13 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.552 2.168 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.67 -29.52 11.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.64 -24.9 20.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.11 153.11 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.009 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 117.69 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -88.93 136.19 33.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -132.39 143.11 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -152.07 131.48 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m 60.37 19.77 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -15.94 58.29 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -95.9 126.51 41.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -64.96 123.84 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.418 ' HE3' ' CD2' ' A' ' 59' ' ' TYR . 88.0 mtp -71.78 113.61 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 143.08 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -52.18 -25.18 8.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.532 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.45 -20.61 58.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.51 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -88.65 -177.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -149.42 159.78 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.67 -48.04 14.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.511 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.14 61.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.72 -31.64 69.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 57.0 m-85 -98.41 22.52 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.94 35.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.814 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.48 101.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.42 171.93 8.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.37 116.08 7.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.12 -4.9 35.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.799 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 140.35 47.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.847 0.355 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.07 106.97 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.44 125.93 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 99.11 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tt -87.07 149.18 24.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.59 148.92 38.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.93 157.35 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 116.55 32.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -96.48 123.27 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.74 123.91 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.43 154.94 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.74 -19.6 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.455 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -82.01 -29.64 31.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.643 0.259 . . . . 0.0 111.059 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.7 -19.14 5.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.767 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -173.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -149.19 115.42 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.2 mt -96.29 132.1 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -87.94 139.84 30.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.25 176.1 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -149.22 118.23 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -144.25 179.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.25 153.4 44.55 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.85 -20.78 45.15 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.568 2.179 . . . . 0.0 112.415 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.1 p -82.52 -18.09 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.22 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.54 114.37 4.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.98 162.31 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.85 -43.76 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.359 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.22 -33.97 30.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.036 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -40.04 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.305 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.2 mt -62.85 -48.47 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.195 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -55.24 -47.95 74.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.55 -38.44 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -64.18 -42.19 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -61.2 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.35 -54.71 40.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.67 -27.38 27.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.226 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -56.35 4.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.75 -43.57 7.82 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.3 4.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.572 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -60.39 136.39 91.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.534 0.207 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.82 136.0 43.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.465 2.11 . . . . 0.0 112.244 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.31 -37.42 90.87 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.478 2.119 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.56 -31.06 14.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -90.95 -23.36 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.04 152.67 43.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -140.62 116.46 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.41 125.51 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 mt -137.99 147.45 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -152.2 130.1 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.67 23.37 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -7.69 75.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.929 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -96.3 117.65 31.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.98 124.07 21.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.1 mmm -72.12 119.7 16.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.97 133.78 35.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -52.05 -27.91 15.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.435 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.85 -19.92 58.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.557 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -88.76 -174.58 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -148.84 158.73 44.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.61 -46.28 14.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -43.51 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -29.4 68.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 68.0 m-85 -97.77 21.15 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 36.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.37 105.04 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.39 165.89 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.0 113.96 4.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.554 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.27 -10.5 19.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.757 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -56.64 137.57 53.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.28 106.18 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -95.71 126.87 41.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -91.72 109.24 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.726 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptp . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -74.48 153.2 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 pt -141.82 -175.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.92 119.15 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -96.11 119.24 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.23 107.37 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 145.7 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.11 -19.94 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.38 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -6.42 58.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 66.2 1.39 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -167.97 121.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.89 115.96 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.42 145.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.99 138.89 31.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.94 179.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.05 121.32 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.24 154.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -91.36 147.17 34.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.77 -27.47 43.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.485 2.123 . . . . 0.0 112.268 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.8 -24.24 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.96 112.8 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.77 160.7 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.32 -42.69 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -34.4 30.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -72.94 -39.85 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mt -63.38 -48.1 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.18 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.07 -49.57 71.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.784 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -57.64 -41.48 81.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -64.61 -43.99 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -60.98 -45.0 99.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.09 -54.49 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.48 -27.45 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -56.43 4.53 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.76 -43.38 7.91 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.71 33.01 1.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.3 mm -114.06 128.79 25.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.555 0.217 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 141.16 50.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.326 2.017 . . . . 0.0 112.149 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.28 -49.52 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.482 2.121 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.67 -29.63 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.97 -24.21 20.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.48 112.51 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -98.67 107.78 20.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -88.65 133.47 34.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.451 HD13 HG23 ' A' ' 44' ' ' ILE . 33.1 mt -138.1 149.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD1' HD23 ' A' ' 67' ' ' LEU . 44.0 t80 -152.29 120.76 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 25.86 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.75 -9.13 72.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.811 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -96.36 114.86 26.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.84 121.33 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 59' ' ' TYR . 29.4 mtp -72.0 110.03 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -81.7 142.94 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.51 -25.26 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.34 -22.81 57.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.453 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -88.92 -178.89 5.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 p -149.06 162.91 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.57 -50.56 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.498 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.46 62.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.458 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.61 -32.8 70.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CD2' ' HE3' ' A' ' 50' ' ' MET . 55.9 m-85 -96.97 21.26 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.25 35.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.903 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mt -71.18 104.64 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.27 166.75 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.59 114.14 4.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.08 -9.8 22.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.752 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 133.37 52.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.365 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.41 96.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 45' ' ' TYR . 5.2 mt -96.29 140.86 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.785 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -91.57 166.47 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.0 tt -151.05 105.11 3.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.903 0.382 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.014 179.819 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.48 152.72 37.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.27 -174.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 119.31 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -96.62 121.74 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -81.85 125.02 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 156.77 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.0 -21.56 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -82.51 -33.88 28.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 111.011 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.89 -12.37 4.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.846 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -176.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -149.16 119.05 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.45 146.17 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.98 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -149.55 117.05 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.16 166.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -91.28 155.88 44.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.68 -20.95 45.99 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.553 2.168 . . . . 0.0 112.426 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -82.57 -24.29 34.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.77 115.21 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.09 164.02 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.01 -45.03 22.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -32.53 24.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -72.92 -41.01 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.233 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.4 mt -63.26 -48.32 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.316 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.92 -49.36 71.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.756 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.62 -37.86 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -64.77 -46.53 81.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.77 -46.49 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.43 -54.09 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.61 -27.47 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.354 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -56.4 4.53 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -43.56 7.55 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.92 -13.19 6.43 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.651 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.25 115.87 38.9 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.618 0.209 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.34 151.42 17.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.404 2.069 . . . . 0.0 112.261 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 -49.24 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.517 2.145 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.8 -28.03 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.56 -25.43 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -70.89 158.38 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.29 102.01 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.633 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tp -88.25 133.77 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.19 145.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -152.18 133.32 14.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.2 19.13 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.4 -19.79 45.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.619 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.22 130.57 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.92 135.33 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.1 mtp -71.93 120.28 17.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.85 35.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.17 -36.86 52.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.451 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.96 -8.84 57.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.655 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -89.13 -176.98 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 p -149.83 156.46 41.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.34 -45.1 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.534 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.13 -43.8 61.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.323 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.14 -32.31 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.0 m-85 -98.23 19.19 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.49 34.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.886 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.22 98.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.85 172.66 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.29 125.15 35.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.591 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.37 60.49 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.672 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -56.24 135.87 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 t -93.08 98.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.7 138.56 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -92.06 152.55 19.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -151.16 102.74 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.126 179.827 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.4 153.06 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.82 155.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.68 117.6 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -95.01 121.46 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -81.52 120.88 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.26 139.18 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.82 -15.84 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.592 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 m -79.83 -35.25 38.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.36 63.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -177.71 3.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 0.0 110.75 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -148.67 105.04 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.15 136.84 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.52 141.45 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.1 143.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.75 111.33 22.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.04 139.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -91.44 153.33 44.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.19 -23.1 21.71 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 p -82.13 -22.43 36.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.51 112.34 3.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -60.93 155.02 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.14 -43.55 21.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.2 -33.21 26.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.21 -41.61 63.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.386 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.02 -47.07 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.298 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -54.34 44.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.87 -33.2 68.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -52.15 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.89 -44.08 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.44 -56.22 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -53.93 -27.36 30.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.355 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -78.08 -56.3 4.59 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.83 -43.45 7.85 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.37 -0.51 7.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mm -77.41 124.72 86.86 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.717 0.258 . . . . 0.0 111.186 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.76 141.27 65.72 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.43 2.087 . . . . 0.0 112.13 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.02 -50.53 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.43 2.087 . . . . 0.0 112.354 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.77 -27.68 7.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -90.49 -26.02 19.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -70.44 148.19 48.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.09 111.84 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -88.73 110.25 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.034 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mm -100.23 144.24 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -151.78 124.16 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 22.83 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.15 -10.72 67.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.882 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 120.78 37.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 118.5 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 59' ' ' TYR . 62.2 mtp -71.82 111.43 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.67 144.21 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -25.53 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.528 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.65 -22.08 57.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.546 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -88.81 -175.81 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.0 p -149.34 158.46 44.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.34 -45.67 12.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.63 -43.17 62.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.353 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.88 -31.38 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.446 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 34.8 m-85 -98.36 22.08 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.04 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.868 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.36 104.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.32 167.53 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.63 120.93 18.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.64 -7.72 46.28 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.779 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.35 137.01 53.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.338 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.06 105.92 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -96.09 130.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -91.94 101.02 13.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.52 104.12 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.802 0.334 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.51 151.5 37.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.4 pt -142.28 -177.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -139.93 117.64 11.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.61 115.83 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -81.81 117.75 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt -57.73 -19.69 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -81.48 -29.25 33.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.661 0.267 . . . . 0.0 111.133 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.57 -15.41 7.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.824 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -175.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -147.82 122.85 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mt -95.93 131.29 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.84 134.52 33.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.08 176.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -145.66 114.96 7.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.97 166.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -91.22 158.16 41.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.78 -21.18 51.49 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -82.39 -21.85 35.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.61 116.02 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.97 159.57 11.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -49.67 -44.79 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.314 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.18 -31.59 20.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -46.36 45.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mt -62.88 -44.3 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -55.79 -54.7 41.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.978 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.82 -32.08 67.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.04 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.23 -43.17 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.69 -55.89 25.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.2 -27.42 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -77.89 -56.32 4.6 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -95.55 -43.5 7.92 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 -23.85 4.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.643 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.11 136.4 91.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.94 141.85 66.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.77 -45.8 12.7 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.497 2.131 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -50.6 -30.75 14.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.279 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.75 -23.27 20.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -70.75 110.96 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -98.9 113.29 25.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.683 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.08 137.88 31.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mm -138.09 141.43 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -152.31 120.09 6.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m 59.91 23.99 13.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.48 -12.26 65.59 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.724 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -96.32 118.27 32.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.792 0.33 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.88 127.95 33.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 mtp -72.01 111.74 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.5 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.75 -25.37 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.546 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.42 -22.91 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.392 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -88.79 -171.26 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.385 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 p -149.7 162.89 39.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.81 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -41.27 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.317 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -32.29 69.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -97.77 24.6 6.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.76 38.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.753 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.79 112.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.61 166.25 12.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.08 118.79 13.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.67 -0.12 56.61 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.828 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -56.64 136.92 54.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.849 0.356 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 t -93.6 106.01 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.62 143.63 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.0 158.83 16.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.2 136.76 17.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 -179.884 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -75.32 148.9 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.52 -176.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -139.64 113.23 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.252 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.28 117.92 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 142.22 35.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.45 -17.95 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -80.9 -34.46 33.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.795 0.331 . . . . 0.0 111.018 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.53 68.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.73 134.4 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -91.68 109.54 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mt -96.38 132.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.7 140.61 29.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.94 176.92 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.93 111.96 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.73 168.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.85 138.04 26.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 -22.15 20.79 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.747 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -82.64 -15.74 50.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.603 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.69 125.33 24.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.889 0.376 . . . . 0.0 111.064 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.6 154.25 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -49.16 -46.73 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.18 -31.87 21.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -73.3 -42.12 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.49 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.72 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.164 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -55.18 -48.48 73.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.729 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.1 -35.81 71.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -44.83 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.57 -43.49 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -55.56 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.424 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -53.48 -27.4 24.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -78.21 -56.33 4.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.48 -43.47 7.61 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.16 -26.55 3.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.622 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.78 137.04 93.24 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.603 0.24 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -61.34 147.8 94.6 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.196 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.91 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.464 2.109 . . . . 0.0 112.437 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -50.7 -28.46 9.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -90.7 -25.2 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.37 150.61 46.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -140.46 115.88 10.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -88.46 113.46 24.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.95 134.38 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' CD1' HD21 ' A' ' 67' ' ' LEU . 44.8 t80 -152.46 135.68 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 29.88 18.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.13 27.31 72.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.403 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.14 127.36 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.794 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -64.55 125.44 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.5 mmm -71.82 120.47 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.46 138.23 35.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -51.79 -25.88 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.485 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.93 -22.05 56.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.601 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -88.72 -177.4 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.0 p -148.83 158.41 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.42 -44.92 12.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.434 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.06 61.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.252 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.769 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.456 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 59.1 m-85 -98.4 22.36 9.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.05 37.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.811 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.29 103.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mp -91.61 168.27 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.33 120.55 18.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.563 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.23 -9.48 42.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -56.21 134.58 53.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.53 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 45' ' ' TYR . 8.8 mt -95.8 143.16 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.738 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -92.5 169.23 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -151.19 140.13 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 152.24 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.29 -174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -139.0 114.77 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.03 123.48 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 148.63 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.069 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.64 -19.69 28.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.367 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 m -81.24 -30.07 34.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.752 0.311 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.38 70.01 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 129.94 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.54 110.7 21.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -96.38 138.34 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 131.35 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.26 147.43 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -91.04 127.02 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.43 -176.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -148.35 148.71 29.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.18 -24.68 21.08 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.573 2.182 . . . . 0.0 112.392 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -82.79 -28.32 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.87 105.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -60.97 166.47 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.66 -47.6 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -32.09 22.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -42.19 63.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 mt -62.86 -48.27 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.276 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -55.08 -48.36 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.752 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.6 -38.7 75.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.62 -44.17 91.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.735 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.97 -45.26 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.92 -55.1 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.92 -27.33 30.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.268 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -56.4 4.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -95.7 -43.49 7.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.77 -26.28 4.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.586 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.4 mt -60.26 136.51 91.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.568 0.223 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.45 148.26 92.75 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.29 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.29 -44.99 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -29.39 11.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -90.79 -24.16 20.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -70.01 162.41 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.97 116.44 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.02 136.25 33.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -137.63 144.98 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.41 ' CD1' HD21 ' A' ' 67' ' ' LEU . 16.8 t80 -152.43 116.23 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.84 26.78 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.13 -8.06 75.35 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.783 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 115.51 27.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.91 117.1 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.439 ' CE ' ' CD2' ' A' ' 59' ' ' TYR . 30.0 mtp -72.13 108.27 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.77 146.94 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.55 -25.86 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.81 -23.14 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.483 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -88.89 177.29 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 p -149.68 162.29 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.45 -45.49 13.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.444 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.86 62.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -35.61 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.751 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 73.9 m-85 -98.05 24.76 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.84 34.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.979 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.9 mt -71.62 141.73 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.12 -174.08 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 121.1 21.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.615 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.97 -14.36 55.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.805 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -56.78 122.49 12.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.29 99.73 10.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 45' ' ' TYR . 2.2 mt -95.56 143.82 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -91.82 164.15 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.26 131.7 13.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.41 141.96 43.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pt -142.21 -179.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -140.35 117.27 11.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 15' ' ' ILE . 22.0 t -96.31 120.65 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -82.35 113.13 19.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 147.59 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.75 -19.79 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -81.59 -30.63 32.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.991 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.2 67.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.601 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 131.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -90.82 119.92 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mt -96.05 131.18 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.12 130.81 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.31 179.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -145.71 122.32 11.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.27 153.21 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.33 150.21 41.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.45 -24.4 21.75 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.62 2.214 . . . . 0.0 112.289 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.5 p -82.7 -25.39 33.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -64.59 106.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -60.92 159.64 11.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -49.95 -40.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.363 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.24 -36.89 44.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.63 -41.68 65.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.9 mt -63.19 -47.85 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -48.98 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.759 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.67 -41.59 81.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -42.51 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.5 t -61.12 -45.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.23 -54.73 39.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.9 -27.34 29.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -77.06 -56.33 4.67 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.32 -43.62 7.95 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.1 4.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.579 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.07 136.39 95.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.624 0.249 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.86 150.29 88.35 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.456 2.104 . . . . 0.0 112.237 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.33 -43.7 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.478 2.119 . . . . 0.0 112.399 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -50.74 -31.15 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.88 -22.55 20.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.006 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.94 145.84 51.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.13 106.72 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tp -89.06 149.45 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mm -138.08 140.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.422 ' CD1' HD22 ' A' ' 67' ' ' LEU . 66.9 t80 -152.26 119.13 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.808 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m 61.57 23.87 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.41 -7.2 77.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.78 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -97.07 118.27 33.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.02 130.01 41.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mmm -72.02 95.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -82.01 140.83 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -51.4 -25.88 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.75 -23.69 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -89.08 -176.77 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -149.73 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.44 -47.05 13.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.1 -43.53 61.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.388 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 90.6 m-85 -97.35 19.27 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 35.95 37.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.89 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.5 mt -70.42 104.94 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 171.7 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.6 101.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.17 -9.65 7.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.834 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.47 128.56 36.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.18 98.88 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 45' ' ' TYR . 4.2 mt -95.69 142.41 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.412 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 35.9 m170 -92.04 167.69 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.22 130.56 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.987 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.871 0.367 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 153.07 37.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.81 -179.05 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -141.17 108.9 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.57 117.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -81.89 121.82 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.27 157.39 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -56.76 -22.62 37.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -83.11 -30.71 27.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.951 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.82 -13.24 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.845 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -71.05 131.66 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 115.05 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.3 118.66 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 134.79 33.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.51 -174.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -149.5 118.66 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 pt -144.16 155.49 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.43 152.47 43.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.32 -23.27 23.08 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.568 2.179 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 m -82.27 -21.41 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.6 108.01 1.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -60.77 161.83 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.9 t -50.4 -43.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -51.14 -34.38 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -72.95 -41.27 64.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.04 -47.99 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.254 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -49.33 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.69 -37.05 72.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.662 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 t -62.55 -47.49 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -57.44 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.76 -27.13 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.358 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -77.43 -56.32 4.64 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -43.57 8.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.18 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.406 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 11.8 mt -137.57 140.04 28.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 36' ' ' ILE . 52.9 Cg_exo -52.15 133.31 46.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.95 -41.23 2.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.108 . . . . 0.0 112.183 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -25.41 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -89.05 -25.84 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.211 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -69.14 158.71 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.14 116.1 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -89.51 109.03 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.3 130.33 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.417 ' CE1' HD23 ' A' ' 67' ' ' LEU . 10.6 t80 -152.32 132.06 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.1 36.12 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 28.07 64.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -142.13 125.01 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -64.78 122.13 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 63.6 mtp -71.88 117.36 13.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.76 143.01 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -51.92 -25.18 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.585 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.32 -21.15 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.553 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -88.52 -178.02 5.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -149.23 161.9 41.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.965 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.59 -46.43 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.03 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -32.38 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.1 m-85 -98.62 21.69 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.969 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.41 35.09 0.05 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.732 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.3 mt -70.61 100.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.37 171.03 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.71 113.87 4.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.78 -4.77 29.17 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -56.67 137.04 54.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 t -93.22 106.57 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD23 ' CE1' ' A' ' 45' ' ' TYR . 13.9 mt -95.93 129.32 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -91.79 106.0 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -85.97 138.05 32.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.87 157.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.1 tp -78.74 146.14 34.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.62 118.67 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.34 166.07 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -168.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.2 -32.68 7.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.437 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.322 -1.266 . . . . 0.0 112.449 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -75.3 148.53 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -141.92 149.71 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 114.59 28.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -96.15 121.26 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -81.24 120.9 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 155.41 28.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -20.7 31.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.302 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -34.11 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.008 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.79 -15.92 4.82 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -173.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -149.22 117.35 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.7 145.63 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.69 142.49 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.65 176.42 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -149.67 117.29 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 1.7 pt -144.3 150.95 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.45 151.42 42.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.76 -25.27 26.23 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.63 2.22 . . . . 0.0 112.319 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -82.59 -23.34 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.93 109.91 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -61.0 160.37 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.11 -43.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -51.16 -33.56 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -73.03 -41.38 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.409 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 17' ' ' ILE . 39.9 mt -63.23 -47.82 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -49.25 72.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -57.49 -37.93 73.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -64.38 -42.46 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -60.72 -45.43 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.668 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.75 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.46 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.33 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.353 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.25 -56.28 4.69 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -95.94 -43.36 7.85 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.83 -28.18 3.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.9 mt -60.74 136.86 93.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.525 0.202 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.31 143.78 99.5 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.73 -41.0 2.42 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.146 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -50.66 -28.37 8.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -90.8 -26.17 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -71.24 149.36 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -141.76 120.47 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 tp -89.07 146.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.6 mm -138.04 142.88 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -152.04 113.22 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 m 61.04 29.73 19.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.764 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -1.0 86.7 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.757 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -96.82 111.84 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.29 127.52 32.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.432 ' CE ' ' CG ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -71.94 104.09 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.73 137.57 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -51.61 -26.11 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 -24.26 56.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.42 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -89.1 -178.8 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 p -149.26 162.82 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.32 14.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.414 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.18 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -31.88 70.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 19.9 m-85 -97.77 19.41 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.13 34.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.844 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mt -70.9 101.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.31 167.8 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.95 115.41 5.55 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.46 -10.53 21.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.654 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -56.08 136.63 52.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.06 106.0 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.8 mt -95.81 127.57 41.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -91.67 108.58 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.44 139.78 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.88 145.3 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.223 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.76 146.69 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.98 121.13 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -159.51 177.91 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.18 -53.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.73 -28.05 15.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.855 0.359 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.26 147.76 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -142.5 -178.33 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -140.34 111.39 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.78 112.46 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -82.0 122.74 28.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.31 144.1 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -19.15 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.46 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 m -81.24 -35.21 31.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.02 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.74 66.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.5 128.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.44 117.42 29.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -95.94 141.15 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -88.75 125.17 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.79 170.2 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -145.27 122.93 11.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.39 152.31 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.34 146.4 33.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.25 -23.77 24.37 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.53 2.153 . . . . 0.0 112.427 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t -82.47 -26.47 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.043 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.63 116.16 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -60.8 160.5 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -50.23 -43.68 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.19 -33.96 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.0 -41.21 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.64 -48.31 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.159 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -55.36 -48.17 74.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.701 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.72 -36.72 72.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -63.97 -42.8 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 t -61.89 -47.2 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.76 -57.6 10.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -53.43 -27.25 23.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.349 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -56.42 4.52 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 -43.42 7.65 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.38 44.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.4 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 HG23 HD13 ' A' ' 36' ' ' ILE . 33.1 mt -124.85 136.14 27.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.55 124.52 15.24 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.513 2.142 . . . . 0.0 112.187 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.42 -42.49 65.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.459 2.106 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.64 -30.43 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -90.79 -23.77 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.985 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.66 151.15 45.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.25 113.59 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.8 146.95 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.6 mm -138.05 144.9 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -152.17 119.3 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 24.82 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.08 -9.74 71.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.13 121.33 37.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.74 126.77 28.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.9 mtp -71.86 107.14 4.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -81.71 139.49 34.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -51.57 -26.01 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.507 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.83 -22.72 56.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.476 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -88.8 -177.63 5.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.8 p -149.33 161.13 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.32 -47.91 13.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.432 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.23 -45.02 61.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.03 -31.62 70.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.716 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 35.2 m-85 -98.47 22.08 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.52 35.35 0.06 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.794 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.2 mt -70.93 96.39 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.49 175.14 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 103.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.93 -7.92 8.71 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.767 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.2 m -56.19 137.51 51.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.833 0.349 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.95 106.82 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.53 126.71 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -91.58 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.53 143.34 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.92 129.6 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 146.75 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.54 -172.83 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -80.31 118.62 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -79.82 78.77 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.11 -93.68 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.56 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tpp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 146.95 40.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.02 -176.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -140.52 118.26 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.71 119.49 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.058 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.63 123.25 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 153.58 29.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -21.25 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.0 m -82.43 -32.04 29.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.031 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -13.59 4.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.829 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 179.12 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.13 115.53 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -96.2 127.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.77 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.29 -179.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -149.18 115.27 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.21 172.39 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.43 144.36 29.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.79 -21.26 31.88 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.463 2.109 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.1 p -82.47 -20.54 36.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.353 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.51 116.93 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -61.41 160.43 10.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.039 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.4 t -50.18 -44.3 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.0 -31.98 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -45.35 53.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.57 -47.02 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.228 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -48.78 73.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.93 -36.7 72.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -63.87 -41.75 97.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.562 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.39 -46.44 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.802 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.54 -56.67 16.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -52.93 -27.42 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.251 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -78.81 -56.29 4.52 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -97.24 -43.38 7.37 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 32.6 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.8 mt -110.98 136.25 20.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.561 0.219 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.01 117.88 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.579 2.186 . . . . 0.0 112.215 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.41 -40.53 70.92 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.088 . . . . 0.0 112.299 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.67 -28.62 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -91.0 -25.21 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -70.59 144.38 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.71 113.25 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tp -88.52 115.54 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 44' ' ' ILE . 21.3 mm -101.48 142.89 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.68 124.47 8.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m 61.48 20.36 11.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.21 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.46 -14.78 60.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.2 125.47 40.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.392 . . . . 0.0 110.968 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.97 125.39 24.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 85.6 mtp -71.77 115.04 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -81.78 140.28 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.2 -26.36 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.552 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -75.74 -19.37 59.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.608 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.37 -176.12 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 p -148.81 159.56 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.71 -48.54 15.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.54 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.08 -44.06 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.92 -30.72 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.426 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 33.7 m-85 -97.9 21.81 10.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.036 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.89 37.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.858 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.6 mt -70.44 108.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.61 168.14 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.71 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -2.01 28.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.98 136.74 56.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.41 106.9 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.95 131.08 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -92.08 105.91 18.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.9 tp -86.09 137.92 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -146.26 154.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 tp -78.97 129.05 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.04 164.02 24.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -80.69 -72.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.97 86.8 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.29 135.5 18.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.579 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.483 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.27 153.06 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pt -141.41 145.28 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.64 114.2 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' CG2' ' CD1' ' A' ' 15' ' ' ILE . 26.0 t -95.01 119.95 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -81.79 125.35 30.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 152.51 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tt -57.42 -20.32 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.401 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -29.18 32.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.56 -12.54 5.69 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.886 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -179.61 2.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -149.01 103.91 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -97.04 130.09 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.6 143.69 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.758 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -143.35 141.98 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 111.233 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.72 110.1 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.43 149.19 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.54 146.76 33.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.28 -24.03 25.53 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.559 2.172 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -82.68 -20.44 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.67 116.73 6.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -61.03 160.22 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 t -50.21 -44.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.275 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.24 -32.55 24.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -73.34 -42.89 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.441 HG23 HD13 ' A' ' 26' ' ' ILE . 49.4 mt -63.24 -47.49 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.292 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -50.6 68.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.712 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.98 -35.41 71.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -45.6 86.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.747 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.12 -46.85 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.07 -54.86 37.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.63 -27.26 26.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -56.38 4.62 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.84 -43.5 7.82 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.55 -26.75 4.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.591 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 36' ' ' ILE . 47.2 mt -59.94 137.04 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.507 0.194 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.17 142.27 86.07 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.456 2.104 . . . . 0.0 112.144 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -39.22 4.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.509 2.14 . . . . 0.0 112.403 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -50.61 -29.29 10.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.78 -25.51 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -72.34 154.3 41.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.32 116.37 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.17 107.08 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.2 mm -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.416 ' CD1' HD23 ' A' ' 67' ' ' LEU . 52.1 t80 -151.95 119.74 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 m 60.68 23.15 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.74 66.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.845 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -96.23 116.47 29.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 121.16 14.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.44 ' CE ' ' CD1' ' A' ' 59' ' ' TYR . 41.3 mtp -71.85 105.11 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -81.73 147.83 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -25.62 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.531 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.35 -25.59 57.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -89.16 -178.04 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.4 p -149.73 160.35 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.18 14.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.517 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -39.24 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.07 -34.03 71.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' CE ' ' A' ' 50' ' ' MET . 42.9 m-85 -97.67 23.5 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.59 38.48 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.9 mt -70.69 111.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.22 166.83 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.86 2.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.42 1.19 33.02 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.817 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.73 144.25 33.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.81 108.14 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 45' ' ' TYR . 14.2 mt -96.46 174.21 6.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -142.99 106.19 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tt -85.88 153.14 22.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -145.39 121.97 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -79.4 144.88 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.59 -165.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.19 112.31 17.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -79.85 86.58 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.95 -134.25 31.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.533 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 153.09 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 pp -140.92 -176.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -141.14 114.98 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -96.27 127.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 124.04 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 138.57 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -17.42 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.385 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -80.7 -36.25 32.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.59 64.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.87 -173.36 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.67 112.27 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.98 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.5 mt -96.97 144.9 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.43 137.85 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.49 141.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 111.15 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.87 119.18 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.42 138.32 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -91.86 148.71 37.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 -29.5 58.44 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -83.05 -21.16 33.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.356 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.94 110.58 2.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.01 164.89 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.7 t -49.88 -46.11 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.336 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.09 -32.47 22.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -73.65 -44.98 55.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 mt -63.35 -45.9 96.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.279 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -54.57 41.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.953 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.04 -32.69 68.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -64.88 -46.0 83.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.612 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.88 -44.07 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.61 -55.83 25.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.06 -27.5 32.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -78.37 -56.31 4.55 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -95.67 -43.56 7.86 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -24.94 4.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.2 mt -60.45 136.24 91.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.569 0.223 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.96 138.04 46.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.496 2.131 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.25 -45.05 33.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.396 2.064 . . . . 0.0 112.376 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.69 -28.93 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.6 -24.97 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.44 150.75 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -141.29 113.86 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -88.87 143.8 26.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.3 mm -138.03 142.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -152.11 122.66 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m 61.15 21.83 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.41 -14.25 61.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.754 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -96.37 122.67 39.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.13 136.05 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.415 ' HE1' ' CD1' ' A' ' 59' ' ' TYR . 2.0 mtp -71.94 119.28 15.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -81.76 133.71 35.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.79 -35.62 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.416 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.99 -13.51 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.691 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -88.83 -177.32 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.5 p -149.3 160.93 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.91 -45.56 15.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.409 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.36 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.93 -32.8 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 12.9 m-85 -98.6 21.62 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.68 34.6 0.06 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.774 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.06 99.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -91.13 170.67 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.35 116.23 6.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 -3.83 34.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.33 138.01 51.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 106.29 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -96.58 127.79 42.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -91.11 112.72 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.017 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 144.0 27.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -146.19 142.2 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mp -78.91 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.78 172.6 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.2 mt -158.87 93.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 62.07 103.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.19 57.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.315 -1.27 . . . . 0.0 112.565 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.758 0.313 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.49 143.82 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.13 149.63 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -105.63 118.45 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.21 117.51 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 1.6 tttp -81.81 123.25 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 156.66 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.03 -21.46 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.332 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -29.63 30.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.047 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.34 -9.66 6.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 179.88 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.02 111.85 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.4 mt -96.33 130.63 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -87.79 137.69 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.37 -177.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.63 121.15 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.15 162.53 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.29 148.57 38.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.46 -21.82 25.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.621 2.214 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p -82.2 -23.85 35.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.168 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.72 107.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -60.9 166.26 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.04 -42.92 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.224 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.21 -33.43 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -45.61 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.52 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mt -62.24 -46.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -49.63 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.94 -36.28 72.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -42.59 96.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.6 t -61.44 -48.21 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.67 -55.69 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.15 -27.45 21.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.368 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -78.27 -56.34 4.53 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.48 -43.5 7.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 33.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.462 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.2 mm -111.94 135.99 21.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.529 0.204 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.33 125.24 15.85 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.472 2.114 . . . . 0.0 112.188 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.7 -46.92 28.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.506 2.137 . . . . 0.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -50.88 -27.97 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.83 -25.09 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -69.63 158.29 35.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -140.64 113.74 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.44 135.74 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -136.82 129.51 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' CG ' HD21 ' A' ' 67' ' ' LEU . 13.9 t80 -152.5 136.48 16.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.38 31.44 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.25 72.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.422 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -142.06 125.61 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.8 122.94 18.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.42 ' HE2' ' CE2' ' A' ' 59' ' ' TYR . 27.7 mtp -72.3 113.54 9.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.75 143.67 31.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -51.98 -25.37 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.532 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.49 -20.69 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.583 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -88.57 179.65 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.2 p -149.53 160.93 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.54 -50.61 12.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.488 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -42.13 61.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 39.9 m-85 -97.9 20.87 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.866 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -70.59 101.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.43 171.28 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.46 109.98 2.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.62 -10.9 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.747 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -56.31 133.4 52.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.35 99.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' CG ' ' A' ' 45' ' ' TYR . 21.7 mt -95.84 135.05 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 6.7 m-70 -91.87 161.8 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -151.26 140.09 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.6 143.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -79.21 148.08 32.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.11 162.73 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mt 57.79 88.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.02 142.69 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.03 86.96 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.559 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.51 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.823 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.43 149.33 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 pt -142.12 -177.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -140.9 112.38 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.7 t -95.67 114.52 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -82.1 120.28 25.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.25 170.51 16.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -56.61 -26.32 55.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -83.06 -29.98 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.91 -0.79 15.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -71.24 120.98 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.09 103.94 16.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -96.07 138.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.0 130.19 35.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.02 142.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.8 126.95 37.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.6 139.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -91.37 147.43 35.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.89 -27.51 53.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.488 2.125 . . . . 0.0 112.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.7 p -83.15 -24.77 32.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 108.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -60.74 169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -49.66 -44.67 19.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.277 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -32.46 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -73.18 -42.27 62.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.81 -47.04 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.295 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -54.6 39.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.981 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -34.15 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -47.95 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.67 -43.39 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -53.57 -58.3 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.01 -27.27 30.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.131 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -77.87 -56.2 4.69 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.47 -43.56 7.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.17 -24.17 5.39 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.29 136.57 88.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.533 0.206 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.45 137.72 75.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.545 2.163 . . . . 0.0 112.226 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.4 -49.32 7.76 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.436 2.091 . . . . 0.0 112.464 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -50.37 -28.63 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.12 -26.16 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.828 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -72.27 109.04 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -99.74 121.42 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tp -88.32 143.6 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mm -137.88 124.9 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 17.1 t80 -152.52 139.47 19.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.639 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m 61.71 30.9 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.79 25.36 67.51 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.317 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -142.1 131.13 23.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 130.06 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.9 mtp -72.21 113.24 9.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.01 138.79 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -51.73 -25.43 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.537 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.37 -22.36 57.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.545 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 -178.34 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.7 p -149.53 164.29 35.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.77 15.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.433 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -42.61 61.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -31.08 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 17.3 m-85 -97.79 24.64 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.04 34.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.922 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.2 mt -71.94 145.06 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mp -148.37 -178.48 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.98 119.08 12.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.34 -9.31 59.2 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.668 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -56.47 130.62 45.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.56 100.45 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 10.9 mt -95.65 140.14 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.752 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.77 164.9 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.917 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -151.15 140.23 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.75 132.51 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.57 138.44 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.59 99.1 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pp -159.5 -42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -79.17 -29.59 43.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.26 -46.23 1.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.475 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 tt -75.3 152.98 38.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 pt -142.1 -178.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 112.51 7.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 p -96.35 122.81 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -81.85 132.83 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 157.16 27.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.95 -21.77 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.244 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.7 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.01 -2.82 6.84 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.857 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -177.15 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.787 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.45 103.91 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.25 133.83 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -88.58 132.95 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -143.51 141.5 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -91.02 118.92 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.2 142.02 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -91.42 158.59 40.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.87 -23.73 54.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.346 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -82.58 -23.56 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -64.63 115.24 5.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -61.09 158.92 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.7 t -49.8 -44.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.32 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -33.04 25.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.012 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -41.29 64.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.05 -48.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -49.17 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.828 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.87 -37.03 73.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -48.08 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.68 -43.35 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.14 -56.7 15.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.07 -27.35 32.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.327 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 -56.41 4.52 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.27 -43.32 7.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.36 -20.48 4.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.51 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.0 133.61 87.33 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.549 0.214 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.2 140.15 63.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.394 2.063 . . . . 0.0 112.083 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.77 -47.54 5.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.557 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -50.56 -31.17 14.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -91.54 -23.0 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -70.75 144.88 50.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -141.08 111.99 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 tp -88.28 144.71 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -138.06 143.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.997 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.417 ' CD1' HD22 ' A' ' 67' ' ' LEU . 24.1 t80 -151.91 131.89 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m 60.55 21.32 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.66 -15.01 59.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.752 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -96.11 120.09 35.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.05 127.38 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.418 ' HE3' ' CD1' ' A' ' 59' ' ' TYR . 42.1 mtp -71.98 103.12 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -81.8 146.71 29.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -51.23 -25.98 6.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.64 -25.72 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.372 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -177.39 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.4 p -149.2 160.7 43.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.37 13.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.4 63.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.36 -31.02 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CD1' ' HE3' ' A' ' 50' ' ' MET . 60.3 m-85 -97.58 23.31 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.66 35.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.0 mt -70.78 104.79 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.38 170.53 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.48 116.24 8.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.64 -6.33 41.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.804 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.9 m -57.1 136.91 56.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.358 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.0 t -92.47 107.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 45' ' ' TYR . 13.9 mt -94.97 133.06 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -91.52 105.47 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.53 139.23 31.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.91 143.98 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.7 141.56 37.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.21 78.09 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.64 153.55 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 31.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.61 -157.6 24.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.527 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.815 0.341 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.26 153.05 38.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -142.33 -178.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -141.14 115.63 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.96 114.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -81.91 124.75 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.33 149.28 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -20.72 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.363 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 -32.01 29.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.0 -8.54 5.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.953 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -71.26 -177.36 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -149.23 109.45 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.5 mt -96.44 121.71 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -88.13 138.39 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.47 -176.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.53 117.98 8.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.08 160.93 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.31 157.09 43.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.6 -24.2 56.07 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.585 2.19 . . . . 0.0 112.371 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -82.79 -23.38 33.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.64 117.56 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -61.02 158.32 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.41 -43.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.23 -32.43 24.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -44.15 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mt -62.43 -47.88 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.264 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -48.37 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.78 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.74 -37.33 73.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -47.43 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.87 -42.55 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.31 -56.53 17.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.463 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.21 -27.34 33.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -56.25 4.66 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.72 -43.48 7.87 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.19 -23.35 4.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.66 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.8 136.59 83.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.05 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.02 141.95 49.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.515 2.143 . . . . 0.0 112.303 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.11 -45.14 24.98 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.456 2.104 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -50.67 -31.9 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.281 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.9 -21.43 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.18 99.76 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.038 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -99.14 106.55 18.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 tp -88.4 145.26 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -138.11 143.74 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -152.23 123.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 m 58.58 24.09 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.49 -9.0 72.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.961 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 121.77 38.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.07 126.7 28.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 mmm -71.97 105.28 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.61 135.11 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -51.85 -24.9 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.569 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.34 -22.8 57.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.405 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -88.76 -171.99 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 p -149.48 161.61 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.41 -52.62 9.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.525 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.29 -39.32 56.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -33.24 70.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -97.72 23.94 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.72 34.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.0 mt -70.83 116.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.967 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.0 162.45 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.1 112.86 4.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.65 -3.21 30.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.811 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.12 142.78 41.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.23 111.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -95.93 134.45 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.713 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -91.55 105.49 17.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -86.47 138.17 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.99 147.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -78.63 125.49 29.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.83 120.94 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.67 68.42 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 58.01 92.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.35 -67.59 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.3 150.42 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.12 179.34 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -141.79 114.31 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.92 118.78 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -81.73 127.22 32.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.45 155.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -21.27 35.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -82.28 -29.82 30.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.61 -13.97 5.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 178.53 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -149.35 116.43 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -96.31 140.29 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.4 137.67 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.62 -175.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -149.47 122.04 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pt -144.09 156.72 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -91.34 165.18 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.11 -24.9 58.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.52 2.147 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -82.94 -23.33 33.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.54 105.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -61.13 162.38 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.9 t -50.13 -43.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.218 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.09 -33.3 25.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -72.94 -41.67 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.325 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.2 -47.49 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -55.16 -48.4 73.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.775 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.29 -39.6 76.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.11 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 t -62.81 -46.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.83 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -58.15 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.26 -27.22 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.303 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -78.06 -56.35 4.55 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -95.3 -43.46 8.03 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.79 27.81 2.22 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.703 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.0 mt -111.56 136.11 21.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.507 0.194 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.96 144.07 99.35 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.502 2.134 . . . . 0.0 112.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.94 -44.27 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.522 2.148 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.8 -28.52 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -90.68 -25.14 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.2 143.48 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 123.48 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.777 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -89.32 147.45 24.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.6 mm -138.07 139.94 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -152.11 116.11 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 27.66 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.89 -6.34 79.07 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.02 111.97 23.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.99 120.22 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.425 ' HE3' ' CG ' ' A' ' 59' ' ' TYR . 19.1 mtp -71.92 116.54 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -81.66 144.26 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.89 -30.13 32.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.425 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.73 -12.53 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.789 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -88.88 -178.0 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 p -149.33 158.43 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.39 -47.71 13.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.574 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.78 61.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -34.98 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 28.3 m-85 -97.64 22.98 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.47 39.74 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.92 99.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.47 172.91 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.95 114.67 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.16 -0.61 38.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.766 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -56.72 136.74 55.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.55 106.14 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.15 127.33 42.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.1 110.17 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 133.97 33.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.07 145.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 122.52 26.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.51 133.52 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt 55.4 -172.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.04 127.44 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -46.32 1.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.493 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.54 153.09 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.5 pt -142.18 -176.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -140.76 108.99 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -96.93 123.79 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.03 125.04 30.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 163.36 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.97 -22.9 29.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.289 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -83.3 -34.12 25.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.71 -17.04 5.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.7 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -70.96 127.53 32.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.43 115.62 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 mt -96.07 138.8 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.04 138.96 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.28 -176.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.54 116.39 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.27 159.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.29 154.01 44.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.59 -25.6 54.7 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.1 m -82.89 -23.31 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -65.06 118.04 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -61.39 164.61 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.29 -42.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.333 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -51.06 -34.5 30.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -41.0 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.355 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.97 -48.57 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.244 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.06 70.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.661 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.95 -34.51 69.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.51 86.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.09 -44.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.75 -55.72 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.0 -27.32 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.263 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -77.52 -56.3 4.65 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.61 -43.58 7.87 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -26.09 4.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.46 137.05 94.61 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.596 0.236 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.57 148.27 92.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.449 2.1 . . . . 0.0 112.247 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 -40.13 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.552 2.168 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.67 -29.52 11.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.64 -24.9 20.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.11 153.11 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.009 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 117.69 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -88.93 136.19 33.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -132.39 143.11 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -152.07 131.48 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m 60.37 19.77 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -15.94 58.29 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -95.9 126.51 41.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -64.96 123.84 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.418 ' HE3' ' CD2' ' A' ' 59' ' ' TYR . 88.0 mtp -71.78 113.61 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 143.08 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -52.18 -25.18 8.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.532 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.45 -20.61 58.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.51 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -88.65 -177.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -149.42 159.78 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.67 -48.04 14.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.511 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.14 61.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.72 -31.64 69.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 57.0 m-85 -98.41 22.52 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.94 35.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.814 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.1 mt -70.48 101.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.42 171.93 8.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.37 116.08 7.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.12 -4.9 35.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.799 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 140.35 47.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.847 0.355 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.07 106.97 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.44 125.93 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 99.11 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 tt -87.07 149.18 24.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.33 148.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -78.57 152.83 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.58 157.16 31.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.001 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.69 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -169.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.37 157.26 27.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.575 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.59 148.92 38.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -141.93 157.35 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 116.55 32.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -96.48 123.27 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.74 123.91 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.43 154.94 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.74 -19.6 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.455 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -82.01 -29.64 31.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.643 0.259 . . . . 0.0 111.059 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.7 -19.14 5.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.767 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -173.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -149.19 115.42 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.2 mt -96.29 132.1 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -87.94 139.84 30.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.25 176.1 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -149.22 118.23 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -144.25 179.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.25 153.4 44.55 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.85 -20.78 45.15 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.568 2.179 . . . . 0.0 112.415 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.1 p -82.52 -18.09 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.22 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.54 114.37 4.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.98 162.31 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.85 -43.76 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.359 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.22 -33.97 30.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.036 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -40.04 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.305 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.2 mt -62.85 -48.47 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.195 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -55.24 -47.95 74.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.55 -38.44 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -64.18 -42.19 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.4 t -61.2 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.35 -54.71 40.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.67 -27.38 27.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.226 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -56.35 4.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -95.75 -43.57 7.82 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.3 4.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.572 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.7 mt -60.39 136.39 91.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.534 0.207 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.82 136.0 43.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.465 2.11 . . . . 0.0 112.244 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.31 -37.42 90.87 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.478 2.119 . . . . 0.0 112.433 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.56 -31.06 14.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -90.95 -23.36 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -71.04 152.67 43.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -140.62 116.46 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.41 125.51 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 mt -137.99 147.45 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -152.2 130.1 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.67 23.37 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -7.69 75.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.929 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -96.3 117.65 31.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.98 124.07 21.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.1 mmm -72.12 119.7 16.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.97 133.78 35.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -52.05 -27.91 15.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.435 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.85 -19.92 58.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.557 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -88.76 -174.58 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.5 p -148.84 158.73 44.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.61 -46.28 14.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -43.51 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -29.4 68.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 68.0 m-85 -97.77 21.15 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 36.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.4 mt -70.37 105.04 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.39 165.89 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.0 113.96 4.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.554 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.27 -10.5 19.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.757 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -56.64 137.57 53.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.28 106.18 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -95.71 126.87 41.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -91.72 109.24 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 t -97.86 161.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.09 147.64 34.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 64.8 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.49 -177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 65.99 83.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.85 -28.46 13.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.428 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.489 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptp . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -74.48 153.2 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 pt -141.82 -175.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.92 119.15 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -96.11 119.24 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.23 107.37 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 145.7 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.11 -19.94 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.38 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -6.42 58.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 66.2 1.39 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -167.97 121.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.89 115.96 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.42 145.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.99 138.89 31.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.94 179.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.05 121.32 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.24 154.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -91.36 147.17 34.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.77 -27.47 43.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.485 2.123 . . . . 0.0 112.268 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.8 -24.24 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.96 112.8 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.77 160.7 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.32 -42.69 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -34.4 30.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -72.94 -39.85 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.5 mt -63.38 -48.1 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.18 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.07 -49.57 71.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.784 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -57.64 -41.48 81.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -64.61 -43.99 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.4 t -60.98 -45.0 99.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.09 -54.49 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.48 -27.45 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -56.43 4.53 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.76 -43.38 7.91 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.71 33.01 1.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.3 mm -114.06 128.79 25.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.555 0.217 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 141.16 50.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.326 2.017 . . . . 0.0 112.149 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.28 -49.52 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.482 2.121 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.67 -29.63 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.97 -24.21 20.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.48 112.51 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -98.67 107.78 20.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 tp -88.65 133.47 34.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.451 HD13 HG23 ' A' ' 44' ' ' ILE . 33.1 mt -138.1 149.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CD1' HD23 ' A' ' 67' ' ' LEU . 44.0 t80 -152.29 120.76 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 25.86 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.75 -9.13 72.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.811 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -96.36 114.86 26.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.84 121.33 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 59' ' ' TYR . 29.4 mtp -72.0 110.03 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -81.7 142.94 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.51 -25.26 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.34 -22.81 57.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.453 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -88.92 -178.89 5.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.7 p -149.06 162.91 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.57 -50.56 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.498 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.46 62.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.458 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.61 -32.8 70.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CD2' ' HE3' ' A' ' 50' ' ' MET . 55.9 m-85 -96.97 21.26 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.25 35.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.903 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mt -71.18 104.64 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.27 166.75 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.59 114.14 4.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.08 -9.8 22.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.752 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 133.37 52.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.365 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.41 96.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 45' ' ' TYR . 5.2 mt -96.29 140.86 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.785 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -91.57 166.47 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.0 tt -151.05 105.11 3.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.903 0.382 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.3 t -97.83 140.41 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.014 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.92 137.95 37.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.99 118.79 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mp -80.49 85.89 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 117.77 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.26 -66.81 0.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.432 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.504 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.48 152.72 37.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.27 -174.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 119.31 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -96.62 121.74 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -81.85 125.02 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 156.77 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.0 -21.56 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -82.51 -33.88 28.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 111.011 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.89 -12.37 4.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.846 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -176.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -149.16 119.05 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.45 146.17 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.98 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -149.55 117.05 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.16 166.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -91.28 155.88 44.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.68 -20.95 45.99 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.553 2.168 . . . . 0.0 112.426 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -82.57 -24.29 34.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.77 115.21 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -61.09 164.02 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.01 -45.03 22.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -32.53 24.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -72.92 -41.01 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.233 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.4 mt -63.26 -48.32 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.316 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.92 -49.36 71.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.756 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.62 -37.86 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -64.77 -46.53 81.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.77 -46.49 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.43 -54.09 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.61 -27.47 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.354 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -56.4 4.53 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -43.56 7.55 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.92 -13.19 6.43 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.651 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.25 115.87 38.9 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.618 0.209 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.34 151.42 17.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.404 2.069 . . . . 0.0 112.261 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 -49.24 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.517 2.145 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.8 -28.03 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.56 -25.43 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -70.89 158.38 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.29 102.01 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.633 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tp -88.25 133.77 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.19 145.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -152.18 133.32 14.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.2 19.13 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.4 -19.79 45.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.619 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.22 130.57 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.92 135.33 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.1 mtp -71.93 120.28 17.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.85 35.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.17 -36.86 52.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.451 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.96 -8.84 57.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.655 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -89.13 -176.98 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.7 p -149.83 156.46 41.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.34 -45.1 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.534 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.13 -43.8 61.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.323 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.14 -32.31 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.0 m-85 -98.23 19.19 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.49 34.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.886 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.0 mt -71.22 98.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.85 172.66 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.29 125.15 35.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.591 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.37 60.49 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.672 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -56.24 135.87 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 t -93.08 98.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.7 138.56 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -92.06 152.55 19.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -151.16 102.74 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.026 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.24 146.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.3 tt -79.59 152.18 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.36 132.49 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.37 151.97 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -159.92 95.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.59 -124.18 8.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.4 153.06 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.82 155.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.099 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.68 117.6 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -95.01 121.46 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -81.52 120.88 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.26 139.18 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.82 -15.84 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.592 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 m -79.83 -35.25 38.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.36 63.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -177.71 3.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 0.0 110.75 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -148.67 105.04 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.15 136.84 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.52 141.45 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.1 143.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.75 111.33 22.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.04 139.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -91.44 153.33 44.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.19 -23.1 21.71 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 p -82.13 -22.43 36.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.51 112.34 3.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -60.93 155.02 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.14 -43.55 21.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.2 -33.21 26.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.21 -41.61 63.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.386 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.02 -47.07 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.298 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -54.34 44.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.87 -33.2 68.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -52.15 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 t -60.89 -44.08 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.44 -56.22 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -53.93 -27.36 30.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.355 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -78.08 -56.3 4.59 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.83 -43.45 7.85 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.37 -0.51 7.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mm -77.41 124.72 86.86 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.717 0.258 . . . . 0.0 111.186 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.76 141.27 65.72 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.43 2.087 . . . . 0.0 112.13 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.02 -50.53 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.43 2.087 . . . . 0.0 112.354 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.77 -27.68 7.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -90.49 -26.02 19.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -70.44 148.19 48.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.09 111.84 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -88.73 110.25 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.034 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mm -100.23 144.24 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -151.78 124.16 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 22.83 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.15 -10.72 67.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.882 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 120.78 37.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 118.5 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 59' ' ' TYR . 62.2 mtp -71.82 111.43 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.67 144.21 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -25.53 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.528 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.65 -22.08 57.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.546 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -88.81 -175.81 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.0 p -149.34 158.46 44.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.34 -45.67 12.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.63 -43.17 62.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.353 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.88 -31.38 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.446 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 34.8 m-85 -98.36 22.08 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.04 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.868 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.36 104.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.32 167.53 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.63 120.93 18.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.64 -7.72 46.28 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.779 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.35 137.01 53.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.338 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.06 105.92 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -96.09 130.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -91.94 101.02 13.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.52 104.12 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.2 p -97.74 134.59 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.71 139.43 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.82 100.02 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pp -159.47 37.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.95 118.44 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.73 156.07 28.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.593 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.802 0.334 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.51 151.5 37.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.4 pt -142.28 -177.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -139.93 117.64 11.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.61 115.83 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.224 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -81.81 117.75 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt -57.73 -19.69 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.443 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -81.48 -29.25 33.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.661 0.267 . . . . 0.0 111.133 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.57 -15.41 7.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.824 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -175.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -147.82 122.85 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mt -95.93 131.29 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.84 134.52 33.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.08 176.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -145.66 114.96 7.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.97 166.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -91.22 158.16 41.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.78 -21.18 51.49 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -82.39 -21.85 35.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.61 116.02 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.97 159.57 11.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -49.67 -44.79 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.314 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.18 -31.59 20.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -46.36 45.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mt -62.88 -44.3 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -55.79 -54.7 41.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.978 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.82 -32.08 67.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.04 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.23 -43.17 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.69 -55.89 25.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.2 -27.42 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -77.89 -56.32 4.6 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -95.55 -43.5 7.92 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 -23.85 4.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.643 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.11 136.4 91.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.94 141.85 66.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.369 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.77 -45.8 12.7 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.497 2.131 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -50.6 -30.75 14.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.279 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.75 -23.27 20.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -70.75 110.96 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -98.9 113.29 25.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.683 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.08 137.88 31.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mm -138.09 141.43 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -152.31 120.09 6.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m 59.91 23.99 13.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.48 -12.26 65.59 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.724 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -96.32 118.27 32.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.792 0.33 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.88 127.95 33.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.0 mtp -72.01 111.74 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.5 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.75 -25.37 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.546 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.42 -22.91 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.392 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -88.79 -171.26 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.385 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.1 p -149.7 162.89 39.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.81 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -41.27 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.317 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -32.29 69.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -97.77 24.6 6.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.76 38.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.753 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.79 112.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.61 166.25 12.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.08 118.79 13.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.67 -0.12 56.61 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.828 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -56.64 136.92 54.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.849 0.356 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 t -93.6 106.01 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.62 143.63 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.0 158.83 16.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tt -151.2 136.76 17.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -145.41 139.97 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.21 132.38 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.7 77.57 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -80.62 -46.56 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -159.97 143.15 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.06 157.32 25.49 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.538 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -75.32 148.9 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.52 -176.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -139.64 113.23 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.252 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.28 117.92 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 142.22 35.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 tp -58.45 -17.95 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -80.9 -34.46 33.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.795 0.331 . . . . 0.0 111.018 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.53 68.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.73 134.4 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -91.68 109.54 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mt -96.38 132.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.7 140.61 29.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.94 176.92 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.93 111.96 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 pp -144.73 168.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.85 138.04 26.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 -22.15 20.79 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.747 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -82.64 -15.74 50.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.603 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.69 125.33 24.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.889 0.376 . . . . 0.0 111.064 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.6 154.25 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -49.16 -46.73 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.18 -31.87 21.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -73.3 -42.12 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.49 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mt -62.72 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.164 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -55.18 -48.48 73.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.729 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.1 -35.81 71.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -44.83 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.57 -43.49 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -55.56 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.424 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -53.48 -27.4 24.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -78.21 -56.33 4.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.48 -43.47 7.61 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.16 -26.55 3.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.622 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.78 137.04 93.24 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.603 0.24 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -61.34 147.8 94.6 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.196 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.91 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.464 2.109 . . . . 0.0 112.437 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -50.7 -28.46 9.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -90.7 -25.2 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -70.37 150.61 46.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -140.46 115.88 10.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -88.46 113.46 24.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.95 134.38 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' CD1' HD21 ' A' ' 67' ' ' LEU . 44.8 t80 -152.46 135.68 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 29.88 18.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.13 27.31 72.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.403 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.14 127.36 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.794 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -64.55 125.44 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.5 mmm -71.82 120.47 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.46 138.23 35.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -51.79 -25.88 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.485 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.93 -22.05 56.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.601 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -88.72 -177.4 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.0 p -148.83 158.41 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.42 -44.92 12.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.434 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.06 61.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.252 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.769 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.456 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 59.1 m-85 -98.4 22.36 9.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.05 37.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.811 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.29 103.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mp -91.61 168.27 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.33 120.55 18.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.563 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.23 -9.48 42.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -56.21 134.58 53.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.53 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 45' ' ' TYR . 8.8 mt -95.8 143.16 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.738 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -92.5 169.23 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -151.19 140.13 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.51 141.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.27 148.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.88 103.26 8.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -80.52 152.28 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 63.11 109.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.96 -136.18 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 152.24 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -141.29 -174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -139.0 114.77 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.03 123.48 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 148.63 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.069 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.64 -19.69 28.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.367 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 m -81.24 -30.07 34.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.752 0.311 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.38 70.01 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 129.94 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.54 110.7 21.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -96.38 138.34 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 131.35 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.26 147.43 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -91.04 127.02 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.43 -176.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -148.35 148.71 29.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.18 -24.68 21.08 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.573 2.182 . . . . 0.0 112.392 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -82.79 -28.32 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.87 105.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -60.97 166.47 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.66 -47.6 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.257 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -32.09 22.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -42.19 63.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 mt -62.86 -48.27 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.276 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -55.08 -48.36 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.752 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.6 -38.7 75.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.62 -44.17 91.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.735 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.97 -45.26 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.92 -55.1 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.92 -27.33 30.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.268 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -56.4 4.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -95.7 -43.49 7.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.77 -26.28 4.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.586 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.4 mt -60.26 136.51 91.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.568 0.223 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.45 148.26 92.75 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.29 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.29 -44.99 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -29.39 11.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -90.79 -24.16 20.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -70.01 162.41 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.97 116.44 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 tp -89.02 136.25 33.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -137.63 144.98 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.41 ' CD1' HD21 ' A' ' 67' ' ' LEU . 16.8 t80 -152.43 116.23 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.84 26.78 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.13 -8.06 75.35 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.783 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 115.51 27.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.91 117.1 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.439 ' CE ' ' CD2' ' A' ' 59' ' ' TYR . 30.0 mtp -72.13 108.27 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.77 146.94 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.55 -25.86 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.81 -23.14 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.483 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -88.89 177.29 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.2 p -149.68 162.29 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.45 -45.49 13.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.444 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.86 62.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -35.61 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.751 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 73.9 m-85 -98.05 24.76 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.84 34.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.979 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.9 mt -71.62 141.73 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.12 -174.08 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 121.1 21.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.615 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.97 -14.36 55.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.805 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -56.78 122.49 12.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -92.29 99.73 10.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 45' ' ' TYR . 2.2 mt -95.56 143.82 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -91.82 164.15 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.26 131.7 13.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.27 158.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.81 134.36 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.12 144.53 34.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.82 -43.22 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -176.1 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.54 61.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.608 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.41 141.96 43.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pt -142.21 -179.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -140.35 117.27 11.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 15' ' ' ILE . 22.0 t -96.31 120.65 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -82.35 113.13 19.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 147.59 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.75 -19.79 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -81.59 -30.63 32.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.991 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.2 67.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.601 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 131.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -90.82 119.92 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mt -96.05 131.18 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.12 130.81 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.31 179.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -145.71 122.32 11.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.27 153.21 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.33 150.21 41.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.45 -24.4 21.75 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.62 2.214 . . . . 0.0 112.289 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.5 p -82.7 -25.39 33.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -64.59 106.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -60.92 159.64 11.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -49.95 -40.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.363 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.24 -36.89 44.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.63 -41.68 65.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.9 mt -63.19 -47.85 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -48.98 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.759 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.67 -41.59 81.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -42.51 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.5 t -61.12 -45.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.23 -54.73 39.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.9 -27.34 29.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -77.06 -56.33 4.67 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.32 -43.62 7.95 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.1 4.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.579 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.07 136.39 95.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.624 0.249 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.86 150.29 88.35 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.456 2.104 . . . . 0.0 112.237 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.33 -43.7 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.478 2.119 . . . . 0.0 112.399 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -50.74 -31.15 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.88 -22.55 20.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.006 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -69.94 145.84 51.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.13 106.72 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tp -89.06 149.45 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mm -138.08 140.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.422 ' CD1' HD22 ' A' ' 67' ' ' LEU . 66.9 t80 -152.26 119.13 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.808 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m 61.57 23.87 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.41 -7.2 77.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.78 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -97.07 118.27 33.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.02 130.01 41.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mmm -72.02 95.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -82.01 140.83 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -51.4 -25.88 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.75 -23.69 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -89.08 -176.77 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -149.73 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.44 -47.05 13.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.1 -43.53 61.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.388 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 90.6 m-85 -97.35 19.27 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 35.95 37.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.89 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.5 mt -70.42 104.94 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 171.7 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.6 101.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.17 -9.65 7.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.834 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -56.47 128.56 36.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.18 98.88 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 45' ' ' TYR . 4.2 mt -95.69 142.41 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 35.9 m170 -92.04 167.69 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.22 130.56 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t -145.75 160.83 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.987 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.84 145.11 36.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.68 172.13 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -80.69 100.2 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -80.03 108.82 13.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.88 -56.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.511 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.871 0.367 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -75.6 153.07 37.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.447 HD12 HD12 ' A' ' 67' ' ' LEU . 18.8 pt -141.81 -179.05 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -141.17 108.9 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.4 t -96.57 117.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -81.89 121.82 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.27 157.39 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 7' ' ' THR . 1.1 pt? -56.76 -22.62 37.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -83.11 -30.71 27.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.951 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.82 -13.24 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.845 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -71.05 131.66 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 115.05 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.3 118.66 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 134.79 33.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.51 -174.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.99 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -149.5 118.66 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.855 HD13 HG12 ' A' ' 26' ' ' ILE . 1.7 pt -144.16 155.49 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.43 152.47 43.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.32 -23.27 23.08 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.568 2.179 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 m -82.27 -21.41 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.6 108.01 1.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mtmm -60.77 161.83 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.896 ' HA ' HD12 ' A' ' 26' ' ' ILE . 28.9 t -50.4 -43.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -51.14 -34.38 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -72.95 -41.27 64.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 23' ' ' VAL . 10.8 mt -63.04 -47.99 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.254 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -49.33 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.69 -37.05 72.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.662 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 26' ' ' ILE . 32.6 t -62.55 -47.49 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -57.44 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.76 -27.13 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.358 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -77.43 -56.32 4.64 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -43.57 8.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.18 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.8 mt -137.57 140.04 28.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 36' ' ' ILE . 52.9 Cg_exo -52.15 133.31 46.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.95 -41.23 2.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.108 . . . . 0.0 112.183 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.55 -25.41 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -89.05 -25.84 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.211 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HB3' HD11 ' A' ' 69' ' ' LEU . 75.4 mt-30 -69.14 158.71 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -141.14 116.1 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 67' ' ' LEU . 14.2 tp -89.51 109.03 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.515 HD11 ' HD2' ' A' ' 42' ' ' ARG . 26.9 mm -100.3 130.33 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.687 ' CD1' HD23 ' A' ' 67' ' ' LEU . 10.6 t80 -152.32 132.06 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.1 36.12 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 28.07 64.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -142.13 125.01 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -64.78 122.13 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.562 ' SD ' HD23 ' A' ' 43' ' ' LEU . 63.6 mtp -71.88 117.36 13.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.76 143.01 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -51.92 -25.18 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.585 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.32 -21.15 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.553 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -88.52 -178.02 5.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 22' ' ' LYS . 26.0 p -149.23 161.9 41.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.965 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.59 -46.43 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.03 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -32.38 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.1 m-85 -98.62 21.69 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.969 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.41 35.09 0.05 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.732 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.3 mt -70.61 100.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.37 171.03 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.71 113.87 4.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.78 -4.77 29.17 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.582 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.6 m -56.67 137.04 54.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 t -93.22 106.57 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.687 HD23 ' CD1' ' A' ' 45' ' ' TYR . 13.9 mt -95.93 129.32 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -91.79 106.0 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 41' ' ' GLN . 7.8 tp -85.97 138.05 32.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -75.3 148.53 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 67' ' ' LEU . 26.5 pt -141.92 149.71 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 114.59 28.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.723 ' HB ' HD11 ' A' ' 15' ' ' ILE . 12.1 p -96.15 121.26 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -81.24 120.9 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 155.41 28.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -20.7 31.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.302 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -34.11 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.008 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.79 -15.92 4.82 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -173.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -149.22 117.35 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' HG12 ' A' ' 5' ' ' VAL . 32.0 mt -96.7 145.63 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.69 142.49 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.65 176.42 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -149.67 117.29 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.803 HD13 ' CD1' ' A' ' 26' ' ' ILE . 1.7 pt -144.3 150.95 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.45 151.42 42.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -52.76 -25.27 26.23 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.63 2.22 . . . . 0.0 112.319 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -82.59 -23.34 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.93 109.91 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 55' ' ' THR . 4.4 mttp -61.0 160.37 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.11 -43.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -51.16 -33.56 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -73.03 -41.38 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.409 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 17' ' ' ILE . 39.9 mt -63.23 -47.82 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -49.25 72.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -57.49 -37.93 73.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -64.38 -42.46 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' OE1' ' A' ' 41' ' ' GLN . 18.2 t -60.72 -45.43 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.668 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 3.3 tt0 -55.75 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.33 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.353 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.25 -56.28 4.69 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' HG12 ' A' ' 30' ' ' VAL . 3.0 pm0 -95.94 -43.36 7.85 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.83 -28.18 3.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HD2' ' A' ' 37' ' ' PRO . 41.9 mt -60.74 136.86 93.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.525 0.202 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.3 Cg_endo -60.31 143.78 99.5 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.73 -41.0 2.42 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.146 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -50.66 -28.37 8.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -90.8 -26.17 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG11 ' A' ' 30' ' ' VAL . 48.6 mt-30 -71.24 149.36 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HB3' HG13 ' A' ' 70' ' ' VAL . 5.8 tpt180 -141.76 120.47 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 6.9 tp -89.07 146.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 43' ' ' LEU . 12.6 mm -138.04 142.88 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -152.04 113.22 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 m 61.04 29.73 19.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.764 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -1.0 86.7 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.757 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -96.82 111.84 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.29 127.52 32.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.566 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.94 104.09 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.73 137.57 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -51.61 -26.11 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 -24.26 56.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.42 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -89.1 -178.8 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 22' ' ' LYS . 16.0 p -149.26 162.82 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.74 -49.32 14.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.414 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.18 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -31.88 70.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 19.9 m-85 -97.77 19.41 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.13 34.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.844 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 65' ' ' SER . 32.7 mt -70.9 101.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.31 167.8 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.95 115.41 5.55 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.46 -10.53 21.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.654 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.581 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.6 m -56.08 136.63 52.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.06 106.0 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 43' ' ' LEU . 13.8 mt -95.81 127.57 41.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -91.67 108.58 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.2 tp -86.44 139.78 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 42' ' ' ARG . 14.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.855 0.359 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.6 pp -75.26 147.76 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 67' ' ' LEU . 2.3 pp -142.5 -178.33 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -140.34 111.39 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.78 112.46 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -82.0 122.74 28.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.31 144.1 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -57.54 -19.15 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.46 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 m -81.24 -35.21 31.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.02 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.74 66.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.5 128.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.44 117.42 29.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 15' ' ' ILE . 22.2 mt -95.94 141.15 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.813 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.5 mt-10 -88.75 125.17 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -140.79 170.2 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -145.27 122.93 11.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.451 HG22 HH21 ' A' ' 29' ' ' ARG . 2.7 pp -144.39 152.31 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.34 146.4 33.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.659 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.6 Cg_exo -53.25 -23.77 24.37 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.53 2.153 . . . . 0.0 112.427 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t -82.47 -26.47 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.043 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.63 116.16 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' ' 55' ' ' THR . 6.7 mttt -60.8 160.5 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -50.23 -43.68 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.19 -33.96 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.0 -41.21 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.1 mt -62.64 -48.31 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.159 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -55.36 -48.17 74.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.701 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.72 -36.72 72.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.451 HH21 HG22 ' A' ' 17' ' ' ILE . 3.4 tpp180 -63.97 -42.8 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.0 t -61.89 -47.2 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.76 -57.6 10.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -53.43 -27.25 23.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.349 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -56.42 4.52 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 -43.42 7.65 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.38 44.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.4 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.413 HG23 ' HD2' ' A' ' 37' ' ' PRO . 33.1 mt -124.85 136.14 27.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 36' ' ' ILE . 20.3 Cg_endo -60.55 124.52 15.24 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.513 2.142 . . . . 0.0 112.187 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.42 -42.49 65.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.459 2.106 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.64 -30.43 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -90.79 -23.77 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.985 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.66 151.15 45.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.25 113.59 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 44' ' ' ILE . 12.1 tp -88.8 146.95 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.6 mm -138.05 144.9 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.482 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.1 t80 -152.17 119.3 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 24.82 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.08 -9.74 71.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.13 121.33 37.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.74 126.77 28.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 43' ' ' LEU . 3.9 mtp -71.86 107.14 4.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -81.71 139.49 34.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -51.57 -26.01 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.507 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.83 -22.72 56.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.476 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -88.8 -177.63 5.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 22' ' ' LYS . 17.8 p -149.33 161.13 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.32 -47.91 13.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.432 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.23 -45.02 61.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.03 -31.62 70.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.716 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 35.2 m-85 -98.47 22.08 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.674 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.52 35.35 0.06 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.794 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG23 ' CB ' ' A' ' 65' ' ' SER . 33.2 mt -70.93 96.39 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -91.49 175.14 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 103.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.93 -7.92 8.71 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.767 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.551 ' CB ' HG23 ' A' ' 61' ' ' ILE . 27.2 m -56.19 137.51 51.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.833 0.349 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.95 106.82 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 3' ' ' ILE . 12.4 mt -95.53 126.71 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -91.58 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.53 143.34 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tpp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -75.36 146.95 40.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.921 HD13 HD12 ' A' ' 67' ' ' LEU . 2.0 pp -142.02 -176.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -140.52 118.26 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.4 p -95.71 119.49 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.058 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.63 123.25 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 153.58 29.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.29 -21.25 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.0 m -82.43 -32.04 29.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.031 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -13.59 4.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.829 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 179.12 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.13 115.53 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -96.2 127.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.77 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.29 -179.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -149.18 115.27 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.21 172.39 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.43 144.36 29.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.79 -21.26 31.88 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.463 2.109 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.1 p -82.47 -20.54 36.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.353 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.51 116.93 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.3 mttp -61.41 160.43 10.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 26' ' ' ILE . 22.4 t -50.18 -44.3 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.0 -31.98 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -45.35 53.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.843 HD12 ' HA ' ' A' ' 23' ' ' VAL . 6.7 mt -62.57 -47.02 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.228 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -48.78 73.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.93 -36.7 72.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -63.87 -41.75 97.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.562 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.7 t -61.39 -46.44 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.54 -56.67 16.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -52.93 -27.42 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.251 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE3' HG23 ' A' ' 15' ' ' ILE . 17.7 mmtt -78.81 -56.29 4.52 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -97.24 -43.38 7.37 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 32.6 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.8 mt -110.98 136.25 20.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.561 0.219 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 36' ' ' ILE . 21.8 Cg_endo -61.01 117.88 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.579 2.186 . . . . 0.0 112.215 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.41 -40.53 70.92 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.088 . . . . 0.0 112.299 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.67 -28.62 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -91.0 -25.21 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.459 ' CB ' HD11 ' A' ' 69' ' ' LEU . 39.6 mt-30 -70.59 144.38 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.503 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -139.71 113.25 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 67' ' ' LEU . 9.3 tp -88.52 115.54 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.503 HD11 ' HD3' ' A' ' 42' ' ' ARG . 21.3 mm -101.48 142.89 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.68 124.47 8.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m 61.48 20.36 11.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.21 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.46 -14.78 60.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.2 125.47 40.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.392 . . . . 0.0 110.968 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.97 125.39 24.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.659 ' HE3' HD11 ' A' ' 61' ' ' ILE . 85.6 mtp -71.77 115.04 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -81.78 140.28 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.2 -26.36 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.552 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -75.74 -19.37 59.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.608 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.37 -176.12 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 22' ' ' LYS . 11.3 p -148.81 159.56 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.71 -48.54 15.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.08 -44.06 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.92 -30.72 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 33.7 m-85 -97.9 21.81 10.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.036 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.89 37.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.858 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.659 HD11 ' HE3' ' A' ' 50' ' ' MET . 31.6 mt -70.44 108.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -91.61 168.14 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.71 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -2.01 28.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.563 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -56.98 136.74 56.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.41 106.9 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 43' ' ' LEU . 11.1 mt -95.95 131.08 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -92.08 105.91 18.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 41' ' ' GLN . 25.9 tp -86.09 137.92 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' HA ' HD23 ' A' ' 8' ' ' LEU . 12.0 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.27 153.06 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.454 HD12 HD12 ' A' ' 67' ' ' LEU . 2.3 pt -141.41 145.28 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.64 114.2 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 15' ' ' ILE . 26.0 t -95.01 119.95 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -81.79 125.35 30.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 152.51 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 70' ' ' VAL . 7.7 tt -57.42 -20.32 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.401 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -29.18 32.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.56 -12.54 5.69 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.886 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -179.61 2.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -149.01 103.91 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -97.04 130.09 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.6 143.69 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.758 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.35 141.98 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 111.233 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.72 110.1 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.43 149.19 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.54 146.76 33.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.1 Cg_exo -53.28 -24.03 25.53 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.559 2.172 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -82.68 -20.44 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.67 116.73 6.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 mttm -61.03 160.22 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 t -50.21 -44.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.275 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.24 -32.55 24.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -73.34 -42.89 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 30' ' ' VAL . 49.4 mt -63.24 -47.49 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.292 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -50.6 68.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.712 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.98 -35.41 71.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.514 ' HD2' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.57 -45.6 86.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.9 t -61.12 -46.85 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.07 -54.86 37.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.63 -27.26 26.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -56.38 4.62 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.84 -43.5 7.82 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.55 -26.75 4.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.591 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' HD2' ' A' ' 37' ' ' PRO . 47.2 mt -59.94 137.04 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.507 0.194 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 36' ' ' ILE . 29.4 Cg_endo -63.17 142.27 86.07 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.456 2.104 . . . . 0.0 112.144 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -39.22 4.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.509 2.14 . . . . 0.0 112.403 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -50.61 -29.29 10.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.78 -25.51 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HD11 ' A' ' 69' ' ' LEU . 44.3 mt-30 -72.34 154.3 41.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -139.32 116.37 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' SD ' ' A' ' 50' ' ' MET . 16.4 tp -88.17 107.08 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 42' ' ' ARG . 23.2 mm -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.688 ' CD1' HD23 ' A' ' 67' ' ' LEU . 52.1 t80 -151.95 119.74 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 m 60.68 23.15 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.74 66.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.845 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -96.23 116.47 29.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 121.16 14.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.44 ' CE ' ' CD1' ' A' ' 59' ' ' TYR . 41.3 mtp -71.85 105.11 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -81.73 147.83 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -25.62 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.531 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.35 -25.59 57.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -89.16 -178.04 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 22' ' ' LYS . 16.4 p -149.73 160.35 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.5 -48.18 14.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.517 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -39.24 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.07 -34.03 71.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' CE ' ' A' ' 50' ' ' MET . 42.9 m-85 -97.67 23.5 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.59 38.48 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 65' ' ' SER . 23.9 mt -70.69 111.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -91.22 166.83 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.86 2.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.42 1.19 33.02 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.817 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.586 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -56.73 144.25 33.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.932 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.81 108.14 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 45' ' ' TYR . 14.2 mt -96.46 174.21 6.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -142.99 106.19 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 70' ' ' VAL . 1.6 tt -85.88 153.14 22.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.997 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 8' ' ' LEU . 22.0 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -75.53 153.09 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 67' ' ' LEU . 2.2 pp -140.92 -176.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -141.14 114.98 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 69' ' ' LEU . 11.7 p -96.27 127.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 124.04 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 138.57 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -57.8 -17.42 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.385 179.807 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -80.7 -36.25 32.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.59 64.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.87 -173.36 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.67 112.27 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.98 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.5 mt -96.97 144.9 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.43 137.85 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.769 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -143.49 141.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 111.15 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.87 119.18 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.608 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.42 138.32 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -91.86 148.71 37.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 -29.5 58.44 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -83.05 -21.16 33.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.356 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.94 110.58 2.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.2 mtmp? -61.01 164.89 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.88 -46.11 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.09 -32.47 22.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -73.65 -44.98 55.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.6 mt -63.35 -45.9 96.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.279 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -54.57 41.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.953 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.04 -32.69 68.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -64.88 -46.0 83.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.612 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 t -60.88 -44.07 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.61 -55.83 25.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.06 -27.5 32.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -78.37 -56.31 4.55 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -95.67 -43.56 7.86 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -24.94 4.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 37' ' ' PRO . 39.2 mt -60.45 136.24 91.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.569 0.223 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 39.5 Cg_endo -66.96 138.04 46.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.496 2.131 . . . . 0.0 112.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -58.25 -45.05 33.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.396 2.064 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.69 -28.93 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -90.6 -24.97 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.44 150.75 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HD3' HD11 ' A' ' 44' ' ' ILE . 4.8 ttm180 -141.29 113.86 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.4 tp -88.87 143.8 26.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.777 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.3 mm -138.03 142.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -152.11 122.66 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m 61.15 21.83 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.41 -14.25 61.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.754 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -96.37 122.67 39.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.13 136.05 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.715 ' SD ' HD23 ' A' ' 43' ' ' LEU . 2.0 mtp -71.94 119.28 15.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -81.76 133.71 35.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.79 -35.62 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.416 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.99 -13.51 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.691 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -88.83 -177.32 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.568 HG22 ' CG ' ' A' ' 22' ' ' LYS . 25.5 p -149.3 160.93 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.91 -45.56 15.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.409 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.36 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.93 -32.8 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 12.9 m-85 -98.6 21.62 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.68 34.6 0.06 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.774 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.613 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.0 mt -71.06 99.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -91.13 170.67 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.35 116.23 6.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 -3.83 34.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.33 138.01 51.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 106.29 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 3' ' ' ILE . 27.4 mt -96.58 127.79 42.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -91.11 112.72 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.017 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -86.67 144.0 27.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.758 0.313 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.49 143.82 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.608 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.0 pt -142.13 149.63 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -105.63 118.45 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -96.21 117.51 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -81.81 123.25 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 156.66 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.087 HD13 HG13 ' A' ' 70' ' ' VAL . 60.1 tp -57.03 -21.46 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -29.63 30.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.047 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.34 -9.66 6.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 179.88 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.02 111.85 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.4 mt -96.33 130.63 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -87.79 137.69 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.644 HG23 ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.37 -177.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.63 121.15 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.15 162.53 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.29 148.57 38.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.46 -21.82 25.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.621 2.214 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p -82.2 -23.85 35.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.168 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.72 107.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.6 mttp -60.9 166.26 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.9 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -50.04 -42.92 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.224 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.21 -33.43 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -45.61 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.52 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.1 mt -62.24 -46.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -49.63 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.94 -36.28 72.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -42.59 96.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' ILE . 29.6 t -61.44 -48.21 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.67 -55.69 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.15 -27.45 21.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.368 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HE2' HG23 ' A' ' 15' ' ' ILE . 5.4 mmmt -78.27 -56.34 4.53 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.48 -43.5 7.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 33.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.462 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.2 mm -111.94 135.99 21.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.529 0.204 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.33 125.24 15.85 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.472 2.114 . . . . 0.0 112.188 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.7 -46.92 28.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.506 2.137 . . . . 0.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -50.88 -27.97 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.83 -25.09 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -69.63 158.29 35.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -140.64 113.74 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.5 tp -89.44 135.74 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 43' ' ' LEU . 11.4 mm -136.82 129.51 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.9 t80 -152.5 136.48 16.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.38 31.44 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.25 72.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.422 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -142.06 125.61 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.8 122.94 18.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.592 ' SD ' HD23 ' A' ' 43' ' ' LEU . 27.7 mtp -72.3 113.54 9.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.75 143.67 31.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -51.98 -25.37 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.532 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.49 -20.69 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.583 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -88.57 179.65 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 22' ' ' LYS . 11.2 p -149.53 160.93 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.54 -50.61 12.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.488 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -42.13 61.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.424 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 39.9 m-85 -97.9 20.87 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.571 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 36.78 37.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.866 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 56' ' ' ALA . 36.3 mt -70.59 101.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 60' ' ' LYS . 3.6 mp -91.43 171.28 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.46 109.98 2.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.62 -10.9 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.747 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.576 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.6 m -56.31 133.4 52.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.35 99.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mt -95.84 135.05 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -91.87 161.8 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -151.26 140.09 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.087 HG13 HD13 ' A' ' 8' ' ' LEU . 21.9 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.823 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.43 149.33 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 pt -142.12 -177.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -140.9 112.38 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG21 HD12 ' A' ' 15' ' ' ILE . 23.7 t -95.67 114.52 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -82.1 120.28 25.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.525 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.25 170.51 16.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.979 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt? -56.61 -26.32 55.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -83.06 -29.98 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.91 -0.79 15.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -71.24 120.98 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.09 103.94 16.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -96.07 138.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.0 130.19 35.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.55 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.02 142.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.8 126.95 37.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.574 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.6 139.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -91.37 147.43 35.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.89 -27.51 53.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.488 2.125 . . . . 0.0 112.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.7 p -83.15 -24.77 32.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 108.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 55' ' ' THR . 2.1 mttm -60.74 169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -49.66 -44.67 19.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.277 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -32.46 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -73.18 -42.27 62.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.8 mt -63.81 -47.04 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.295 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -54.6 39.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.981 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -34.15 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -47.95 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 26' ' ' ILE . 11.2 t -61.67 -43.39 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -53.57 -58.3 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.01 -27.27 30.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.131 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -77.87 -56.2 4.69 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.47 -43.56 7.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.17 -24.17 5.39 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG23 ' HD2' ' A' ' 37' ' ' PRO . 40.2 mt -59.29 136.57 88.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.533 0.206 . . . . 0.0 111.045 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.8 Cg_endo -60.45 137.72 75.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.545 2.163 . . . . 0.0 112.226 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.9 Cg_exo -61.4 -49.32 7.76 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.436 2.091 . . . . 0.0 112.464 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -50.37 -28.63 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.12 -26.16 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.828 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -72.27 109.04 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.3 ttp85 -99.74 121.42 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 tp -88.32 143.6 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 43' ' ' LEU . 7.1 mm -137.88 124.9 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD2' HD23 ' A' ' 67' ' ' LEU . 17.1 t80 -152.52 139.47 19.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.639 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m 61.71 30.9 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.79 25.36 67.51 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.317 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -142.1 131.13 23.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.616 ' CD ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.76 130.06 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.78 ' SD ' HD23 ' A' ' 43' ' ' LEU . 15.9 mtp -72.21 113.24 9.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.01 138.79 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -51.73 -25.43 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.537 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.37 -22.36 57.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.545 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 -178.34 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 22' ' ' LYS . 26.7 p -149.53 164.29 35.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.77 15.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.433 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -42.61 61.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -31.08 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 17.3 m-85 -97.79 24.64 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.04 34.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.922 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 65' ' ' SER . 17.2 mt -71.94 145.06 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 60' ' ' LYS . 4.1 mp -148.37 -178.48 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.98 119.08 12.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.34 -9.31 59.2 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.668 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.556 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.8 m -56.47 130.62 45.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.56 100.45 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CD2' ' A' ' 45' ' ' TYR . 10.9 mt -95.65 140.14 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.752 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.77 164.9 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.917 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 6.2 tp -151.15 140.23 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 3' ' ' ILE . 6.0 tt -75.3 152.98 38.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.636 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.4 pt -142.1 -178.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -141.7 112.51 7.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.0 p -96.35 122.81 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -81.85 132.83 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 157.16 27.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.95 -21.77 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.244 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.7 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.01 -2.82 6.84 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.857 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -177.15 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.787 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.45 103.91 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.25 133.83 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -88.58 132.95 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.51 141.5 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -91.02 118.92 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.2 142.02 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -91.42 158.59 40.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.6 Cg_endo -65.87 -23.73 54.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.346 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -82.58 -23.56 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -64.63 115.24 5.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.2 mmtp -61.09 158.92 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.901 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.8 -44.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -33.04 25.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.012 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -41.29 64.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 23' ' ' VAL . 11.1 mt -63.05 -48.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.288 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -49.17 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.828 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.87 -37.03 73.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -48.08 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 15' ' ' ILE . 21.0 t -60.68 -43.35 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.14 -56.7 15.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.07 -27.35 32.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.327 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 -56.41 4.52 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.27 -43.32 7.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.36 -20.48 4.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.51 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.0 133.61 87.33 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.549 0.214 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.2 140.15 63.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.394 2.063 . . . . 0.0 112.083 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.77 -47.54 5.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.557 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -50.56 -31.17 14.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -91.54 -23.0 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -70.75 144.88 50.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -141.08 111.99 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.647 HD21 HD13 ' A' ' 67' ' ' LEU . 6.7 tp -88.28 144.71 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -138.06 143.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.997 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.1 t80 -151.91 131.89 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m 60.55 21.32 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.66 -15.01 59.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.752 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -96.11 120.09 35.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.05 127.38 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.1 mtp -71.98 103.12 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -81.8 146.71 29.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -51.23 -25.98 6.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.64 -25.72 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.372 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -177.39 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 22' ' ' LYS . 21.4 p -149.2 160.7 43.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.36 -46.37 13.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.467 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.4 63.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.36 -31.02 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -97.58 23.31 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.66 35.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD13 HD21 ' A' ' 67' ' ' LEU . 31.0 mt -70.78 104.79 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.38 170.53 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.48 116.24 8.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.64 -6.33 41.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.804 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.418 ' CB ' HG23 ' A' ' 61' ' ' ILE . 24.9 m -57.1 136.91 56.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.358 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.779 HG22 ' HD2' ' A' ' 4' ' ' LYS . 17.0 t -92.47 107.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.647 HD13 HD21 ' A' ' 43' ' ' LEU . 13.9 mt -94.97 133.06 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -91.52 105.47 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.53 139.23 31.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.815 0.341 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.26 153.05 38.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 67' ' ' LEU . 34.8 pt -142.33 -178.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -141.14 115.63 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.813 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.9 t -95.96 114.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -81.91 124.75 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.33 149.28 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -57.19 -20.72 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.363 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 -32.01 29.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.0 -8.54 5.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.953 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -71.26 -177.36 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -149.23 109.45 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.5 mt -96.44 121.71 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -88.13 138.39 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.813 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.47 -176.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.53 117.98 8.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.08 160.93 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.31 157.09 43.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.0 Cg_endo -65.6 -24.2 56.07 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.585 2.19 . . . . 0.0 112.371 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -82.79 -23.38 33.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.64 117.56 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.5 mttp -61.02 158.32 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.41 -43.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.23 -32.43 24.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -44.15 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.8 mt -62.43 -47.88 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.264 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -48.37 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.78 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.74 -37.33 73.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -47.43 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 15' ' ' ILE . 21.4 t -60.87 -42.55 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.31 -56.53 17.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.463 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.21 -27.34 33.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -56.25 4.66 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.72 -43.48 7.87 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.19 -23.35 4.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.66 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 37' ' ' PRO . 50.1 mt -57.8 136.59 83.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 49.4 Cg_endo -69.02 141.95 49.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.515 2.143 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.0 Cg_exo -60.11 -45.14 24.98 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.456 2.104 . . . . 0.0 112.465 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -50.67 -31.9 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.281 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.9 -21.43 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.18 99.76 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.038 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -99.14 106.55 18.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.71 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.7 tp -88.4 145.26 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.71 HD13 ' O ' ' A' ' 43' ' ' LEU . 16.8 mm -138.11 143.74 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -152.23 123.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 m 58.58 24.09 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.49 -9.0 72.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.961 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 121.77 38.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.07 126.7 28.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 mmm -71.97 105.28 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.61 135.11 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -51.85 -24.9 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.569 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.34 -22.8 57.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.405 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -88.76 -171.99 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 9.7 p -149.48 161.61 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.41 -52.62 9.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.525 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . . . -51.29 -39.32 56.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -33.24 70.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -97.72 23.94 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.72 34.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 67' ' ' LEU . 29.0 mt -70.83 116.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.0 162.45 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.1 112.86 4.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.65 -3.21 30.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.811 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -57.12 142.78 41.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.23 111.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD1' HD12 ' A' ' 3' ' ' ILE . 9.0 mt -95.93 134.45 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.713 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -91.55 105.49 17.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -86.47 138.17 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.3 150.42 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.12 179.34 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -141.79 114.31 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -95.92 118.78 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -81.73 127.22 32.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.45 155.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.39 -21.27 35.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -82.28 -29.82 30.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.61 -13.97 5.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 178.53 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -149.35 116.43 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -96.31 140.29 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.4 137.67 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.422 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.62 -175.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -149.47 122.04 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.813 HD13 HG12 ' A' ' 26' ' ' ILE . 2.3 pt -144.09 156.72 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -91.34 165.18 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.11 -24.9 58.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.52 2.147 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -82.94 -23.33 33.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.54 105.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mtmm -61.13 162.38 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.9 t -50.13 -43.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.218 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.09 -33.3 25.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -72.94 -41.67 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.325 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.813 HG12 HD13 ' A' ' 17' ' ' ILE . 29.4 mt -63.2 -47.49 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.3 mttt -55.16 -48.4 73.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.775 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.29 -39.6 76.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.11 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 26' ' ' ILE . 24.0 t -62.81 -46.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.83 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -58.15 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.26 -27.22 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.303 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -78.06 -56.35 4.55 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -95.3 -43.46 8.03 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.79 27.81 2.22 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.703 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 37' ' ' PRO . 32.0 mt -111.56 136.11 21.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.507 0.194 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.9 Cg_endo -58.96 144.07 99.35 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.502 2.134 . . . . 0.0 112.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.94 -44.27 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.522 2.148 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.8 -28.52 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -90.68 -25.14 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.2 143.48 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.45 ' HB3' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -140.98 123.48 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.777 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -89.32 147.45 24.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 43' ' ' LEU . 23.6 mm -138.07 139.94 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -152.11 116.11 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 27.66 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.89 -6.34 79.07 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.02 111.97 23.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.99 120.22 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.587 ' HE3' HD11 ' A' ' 61' ' ' ILE . 19.1 mtp -71.92 116.54 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -81.66 144.26 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.89 -30.13 32.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.425 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.73 -12.53 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.789 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -88.88 -178.0 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.0 p -149.33 158.43 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.39 -47.71 13.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.574 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.78 61.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -34.98 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.435 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 28.3 m-85 -97.64 22.98 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.47 39.74 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.61 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.7 mt -69.92 99.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.47 172.91 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.95 114.67 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.16 -0.61 38.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.766 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.61 ' CB ' HG23 ' A' ' 61' ' ' ILE . 71.3 m -56.72 136.74 55.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.55 106.14 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.471 HD21 HD13 ' A' ' 61' ' ' ILE . 15.2 mt -96.15 127.33 42.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.1 110.17 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -86.98 133.97 33.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.688 ' N ' HD13 ' A' ' 69' ' ' LEU . 12.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -75.54 153.09 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HD12 ' A' ' 15' ' ' ILE . 30.5 pt -142.18 -176.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -140.76 108.99 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 15' ' ' ILE . 14.2 p -96.93 123.79 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.03 125.04 30.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 163.36 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 9' ' ' THR . 2.0 pp -55.97 -22.9 29.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.289 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.863 ' N ' HD12 ' A' ' 8' ' ' LEU . 90.1 m -83.3 -34.12 25.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.71 -17.04 5.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.7 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -70.96 127.53 32.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.43 115.62 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 mt -96.07 138.8 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.04 138.96 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -143.28 -176.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.54 116.39 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 29' ' ' ARG . 2.6 pp -144.27 159.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.29 154.01 44.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 36.6 Cg_endo -65.59 -25.6 54.7 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.1 m -82.89 -23.31 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -65.06 118.04 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' CG ' HG22 ' A' ' 55' ' ' THR . 10.2 mtmm -61.39 164.61 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.29 -42.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.333 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -51.06 -34.5 30.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -41.0 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.355 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.97 -48.57 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.244 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.06 70.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.661 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.95 -34.51 69.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.66 -45.51 86.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.09 -44.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.75 -55.72 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.0 -27.32 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.263 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' A' ' 15' ' ' ILE . 1.9 mmtm -77.52 -56.3 4.65 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.61 -43.58 7.87 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -26.09 4.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 37' ' ' PRO . 52.4 mt -61.46 137.05 94.61 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.596 0.236 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.1 Cg_endo -63.57 148.27 92.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.449 2.1 . . . . 0.0 112.247 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 -40.13 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.552 2.168 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.67 -29.52 11.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.64 -24.9 20.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.448 ' OE1' HD11 ' A' ' 69' ' ' LEU . 46.9 mt-30 -72.11 153.11 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.009 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 117.69 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 4.7 tp -88.93 136.19 33.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -132.39 143.11 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -152.07 131.48 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m 60.37 19.77 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -15.94 58.29 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -95.9 126.51 41.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -64.96 123.84 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.466 ' HE3' HD11 ' A' ' 61' ' ' ILE . 88.0 mtp -71.78 113.61 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 143.08 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -52.18 -25.18 8.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.532 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.45 -20.61 58.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.51 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -88.65 -177.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 22' ' ' LYS . 12.2 p -149.42 159.78 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.67 -48.04 14.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.14 61.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.72 -31.64 69.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 57.0 m-85 -98.41 22.52 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.94 35.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.814 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.1 mt -70.48 101.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.42 171.93 8.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.37 116.08 7.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.12 -4.9 35.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.799 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.564 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.75 140.35 47.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.847 0.355 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.07 106.97 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 61' ' ' ILE . 59.5 mt -95.44 125.93 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 99.11 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.4 tt -87.07 149.18 24.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.59 148.92 38.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 67' ' ' LEU . 2.7 pp -141.93 157.35 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 116.55 32.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.867 HG21 HD11 ' A' ' 15' ' ' ILE . 23.4 t -96.48 123.27 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.74 123.91 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.587 ' HB ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -79.43 154.94 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.74 -19.6 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.455 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 7' ' ' THR . 13.6 t -82.01 -29.64 31.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.643 0.259 . . . . 0.0 111.059 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.7 -19.14 5.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.767 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' H ' HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -70.76 -173.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -149.19 115.42 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.436 HD12 ' OE2' ' A' ' 34' ' ' GLU . 24.2 mt -96.29 132.1 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -87.94 139.84 30.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.25 176.1 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -149.22 118.23 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -144.25 179.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.25 153.4 44.55 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.85 -20.78 45.15 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.568 2.179 . . . . 0.0 112.415 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.1 p -82.52 -18.09 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.22 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.54 114.37 4.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' CG ' HG22 ' A' ' 55' ' ' THR . 11.1 mtmt -60.98 162.31 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.85 -43.76 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.359 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.22 -33.97 30.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.036 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -40.04 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.305 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 30' ' ' VAL . 36.2 mt -62.85 -48.47 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.195 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -55.24 -47.95 74.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.55 -38.44 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -64.18 -42.19 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 26' ' ' ILE . 18.4 t -61.2 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.35 -54.71 40.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.67 -27.38 27.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.226 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -56.35 4.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE2' HD12 ' A' ' 13' ' ' ILE . 11.6 mt-10 -95.75 -43.57 7.82 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.3 4.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.572 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.7 mt -60.39 136.39 91.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.534 0.207 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.2 Cg_endo -65.82 136.0 43.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.465 2.11 . . . . 0.0 112.244 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -59.31 -37.42 90.87 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.478 2.119 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.56 -31.06 14.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -90.95 -23.36 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' OE1' HD11 ' A' ' 69' ' ' LEU . 64.9 mt-30 -71.04 152.67 43.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -140.62 116.46 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.41 125.51 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 70' ' ' VAL . 24.0 mt -137.99 147.45 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -152.2 130.1 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.67 23.37 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -7.69 75.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.929 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -96.3 117.65 31.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.98 124.07 21.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.1 mmm -72.12 119.7 16.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.97 133.78 35.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -52.05 -27.91 15.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.435 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.85 -19.92 58.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.557 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -88.76 -174.58 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.474 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.5 p -148.84 158.73 44.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.61 -46.28 14.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -43.51 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -29.4 68.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 68.0 m-85 -97.77 21.15 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 36.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.4 mt -70.37 105.04 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.39 165.89 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.0 113.96 4.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.554 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.27 -10.5 19.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.757 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.495 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.0 m -56.64 137.57 53.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.28 106.18 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 3' ' ' ILE . 31.7 mt -95.71 126.87 41.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -91.72 109.24 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' OE1' ' A' ' 41' ' ' GLN . 5.8 tt -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 44' ' ' ILE . 12.4 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptp . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.66 HD22 ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -74.48 153.2 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 15' ' ' ILE . 4.2 pt -141.82 -175.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.92 119.15 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' A' ' 15' ' ' ILE . 11.9 p -96.11 119.24 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.23 107.37 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 145.7 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.777 HD21 HG13 ' A' ' 70' ' ' VAL . 1.7 mp -58.11 -19.94 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.38 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -6.42 58.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 66.2 1.39 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -167.97 121.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.89 115.96 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.42 145.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.99 138.89 31.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.589 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 179.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.05 121.32 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.442 HG21 HG12 ' A' ' 26' ' ' ILE . 2.8 pp -144.24 154.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -91.36 147.17 34.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.8 Cg_exo -53.77 -27.47 43.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.485 2.123 . . . . 0.0 112.268 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.8 -24.24 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.96 112.8 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mmmt -60.77 160.7 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.32 -42.69 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -34.4 30.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -72.94 -39.85 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 mt -63.38 -48.1 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.18 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.07 -49.57 71.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.784 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -57.64 -41.48 81.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -64.61 -43.99 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.4 t -60.98 -45.0 99.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.09 -54.49 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.48 -27.45 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -56.43 4.53 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.76 -43.38 7.91 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.71 33.01 1.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.3 mm -114.06 128.79 25.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.555 0.217 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 141.16 50.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.326 2.017 . . . . 0.0 112.149 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.28 -49.52 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.482 2.121 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.67 -29.63 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.97 -24.21 20.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 69' ' ' LEU . 29.5 mt-30 -70.48 112.51 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -98.67 107.78 20.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 11.4 tp -88.65 133.47 34.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.1 mt -138.1 149.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.735 ' CD1' HD23 ' A' ' 67' ' ' LEU . 44.0 t80 -152.29 120.76 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 25.86 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.75 -9.13 72.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.811 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -96.36 114.86 26.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.84 121.33 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.595 ' HE3' HD11 ' A' ' 61' ' ' ILE . 29.4 mtp -72.0 110.03 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -81.7 142.94 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.51 -25.26 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.34 -22.81 57.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.453 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -88.92 -178.89 5.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 22' ' ' LYS . 14.7 p -149.06 162.91 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.57 -50.56 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.498 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.46 62.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.458 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.61 -32.8 70.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -96.97 21.26 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.25 35.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.903 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 50' ' ' MET . 30.1 mt -71.18 104.64 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.27 166.75 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.59 114.14 4.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.08 -9.8 22.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.752 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.21 133.37 52.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.365 . . . . 0.0 110.992 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.41 96.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD23 ' CD1' ' A' ' 45' ' ' TYR . 5.2 mt -96.29 140.86 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.785 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -91.57 166.47 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.0 tt -151.05 105.11 3.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.903 0.382 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 8' ' ' LEU . 23.3 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.014 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -75.48 152.72 37.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.009 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.863 HD13 HD12 ' A' ' 67' ' ' LEU . 2.5 pp -142.27 -174.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 119.31 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.55 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.62 121.74 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -81.85 125.02 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 156.77 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.0 -21.56 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -82.51 -33.88 28.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 111.011 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.89 -12.37 4.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.846 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -176.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -149.16 119.05 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' OE2' ' A' ' 34' ' ' GLU . 21.7 mt -96.45 146.17 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -143.65 169.98 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -149.55 117.05 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.16 166.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -91.28 155.88 44.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 43.0 Cg_endo -67.68 -20.95 45.99 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.553 2.168 . . . . 0.0 112.426 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -82.57 -24.29 34.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.77 115.21 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 55' ' ' THR . 2.9 mttp -61.09 164.02 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.883 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.3 t -50.01 -45.03 22.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -32.53 24.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -72.92 -41.01 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.233 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 23' ' ' VAL . 12.4 mt -63.26 -48.32 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.316 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.92 -49.36 71.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.756 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.62 -37.86 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -64.77 -46.53 81.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.8 t -60.77 -46.49 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.43 -54.09 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.61 -27.47 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.354 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CE ' HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -77.85 -56.4 4.53 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.635 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' OE2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.54 -43.56 7.55 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.476 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.92 -13.19 6.43 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.651 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.25 115.87 38.9 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.618 0.209 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.34 151.42 17.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.404 2.069 . . . . 0.0 112.261 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 -49.24 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.517 2.145 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.8 -28.03 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.56 -25.43 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.726 ' OE1' HD11 ' A' ' 69' ' ' LEU . 35.5 mt-30 -70.89 158.38 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.945 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.29 102.01 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.633 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.676 HD23 ' SD ' ' A' ' 50' ' ' MET . 6.3 tp -88.25 133.77 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.19 145.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 67' ' ' LEU . 53.9 t80 -152.18 133.32 14.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . 0.3 OUTLIER 61.2 19.13 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.4 -19.79 45.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.619 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.22 130.57 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.92 135.33 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.676 ' SD ' HD23 ' A' ' 43' ' ' LEU . 8.1 mtp -71.93 120.28 17.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.85 35.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.17 -36.86 52.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.451 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.96 -8.84 57.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.655 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -89.13 -176.98 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.7 p -149.83 156.46 41.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.1 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.534 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.13 -43.8 61.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.323 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.14 -32.31 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.0 m-85 -98.23 19.19 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.49 34.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.886 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 67' ' ' LEU . 44.0 mt -71.22 98.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.85 172.66 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 1' ' ' MET . . . -55.29 125.15 35.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.591 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.37 60.49 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.672 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.43 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.4 m -56.24 135.87 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 t -93.08 98.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -95.7 138.56 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -92.06 152.55 19.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.1 tt -151.16 102.74 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.126 179.827 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.4 153.06 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 1.044 HD13 HD12 ' A' ' 67' ' ' LEU . 2.8 pp -140.82 155.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.68 117.6 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 15' ' ' ILE . 40.4 t -95.01 121.46 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -81.52 120.88 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.26 139.18 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 70' ' ' VAL . 12.0 tp -58.82 -15.84 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.592 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 m -79.83 -35.25 38.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.36 63.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -177.71 3.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 0.0 110.75 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -148.67 105.04 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.15 136.84 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.52 141.45 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.1 143.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.75 111.33 22.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.6 pp -144.04 139.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -91.44 153.33 44.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.4 Cg_exo -53.19 -23.1 21.71 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.441 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 p -82.13 -22.43 36.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.51 112.34 3.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 55' ' ' THR . 11.9 mtmt -60.93 155.02 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.14 -43.55 21.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.2 -33.21 26.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.21 -41.61 63.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.386 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.02 -47.07 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.298 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -54.34 44.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.87 -33.2 68.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -52.15 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 15' ' ' ILE . 33.2 t -60.89 -44.08 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.44 -56.22 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -53.93 -27.36 30.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.355 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HE2' HG23 ' A' ' 15' ' ' ILE . 17.1 mmtm -78.08 -56.3 4.59 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.83 -43.45 7.85 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.37 -0.51 7.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mm -77.41 124.72 86.86 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.717 0.258 . . . . 0.0 111.186 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.76 141.27 65.72 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.43 2.087 . . . . 0.0 112.13 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.02 -50.53 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.43 2.087 . . . . 0.0 112.354 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.77 -27.68 7.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -90.49 -26.02 19.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 69' ' ' LEU . 36.5 mt-30 -70.44 148.19 48.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.09 111.84 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 67' ' ' LEU . 14.1 tp -88.73 110.25 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.034 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mm -100.23 144.24 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 50.2 t80 -151.78 124.16 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 22.83 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.15 -10.72 67.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.882 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 120.78 37.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 118.5 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 43' ' ' LEU . 62.2 mtp -71.82 111.43 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.67 144.21 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -25.53 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.528 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.65 -22.08 57.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.546 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -88.81 -175.81 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -149.34 158.46 44.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.67 12.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.63 -43.17 62.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.353 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.88 -31.38 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 34.8 m-85 -98.36 22.08 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.04 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.868 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HD21 ' A' ' 67' ' ' LEU . 27.5 mt -70.36 104.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.32 167.53 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.63 120.93 18.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.64 -7.72 46.28 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.779 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.35 137.01 53.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.338 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.06 105.92 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.044 HD12 HD13 ' A' ' 3' ' ' ILE . 4.2 mt -96.09 130.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -91.94 101.02 13.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 41' ' ' GLN . 6.1 tp -86.52 104.12 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 8' ' ' LEU . 12.2 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.802 0.334 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.51 151.5 37.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 15' ' ' ILE . 18.4 pt -142.28 -177.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -139.93 117.64 11.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.945 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.6 t -96.61 115.83 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.224 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -81.81 117.75 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.3 tt -57.73 -19.69 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.443 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -81.48 -29.25 33.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.661 0.267 . . . . 0.0 111.133 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.57 -15.41 7.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.824 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -175.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -147.82 122.85 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mt -95.93 131.29 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.84 134.52 33.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.945 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.08 176.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -145.66 114.96 7.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.97 166.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -91.22 158.16 41.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.78 -21.18 51.49 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -82.39 -21.85 35.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.61 116.02 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 55' ' ' THR . 8.4 mttp -60.97 159.57 11.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.8 t -49.67 -44.79 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.314 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.18 -31.59 20.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -46.36 45.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' VAL . 13.5 mt -62.88 -44.3 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.271 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -55.79 -54.7 41.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.978 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.82 -32.08 67.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.04 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.5 t -61.23 -43.17 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.69 -55.89 25.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.2 -27.42 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -77.89 -56.32 4.6 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -95.55 -43.5 7.92 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 -23.85 4.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.643 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.0 mt -60.11 136.4 91.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 36' ' ' ILE . 37.4 Cg_endo -65.94 141.85 66.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 25.4 Cg_exo -62.77 -45.8 12.7 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.497 2.131 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -50.6 -30.75 14.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.279 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.75 -23.27 20.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.0 mt-30 -70.75 110.96 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -98.9 113.29 25.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.683 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.819 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -88.08 137.88 31.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 43' ' ' LEU . 15.5 mm -138.09 141.43 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -152.31 120.09 6.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m 59.91 23.99 13.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.48 -12.26 65.59 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.724 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -96.32 118.27 32.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.792 0.33 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.88 127.95 33.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.54 ' HE3' HD11 ' A' ' 61' ' ' ILE . 16.0 mtp -72.01 111.74 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.5 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.75 -25.37 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.546 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.42 -22.91 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.392 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -88.79 -171.26 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.385 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.517 HG22 ' CG ' ' A' ' 22' ' ' LYS . 14.1 p -149.7 162.89 39.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.16 -50.81 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.514 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -41.27 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.317 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -32.29 69.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -97.77 24.6 6.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.76 38.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.753 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 56' ' ' ALA . 33.9 mt -70.79 112.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.61 166.25 12.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.08 118.79 13.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.67 -0.12 56.61 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.828 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.509 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.2 m -56.64 136.92 54.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.849 0.356 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 t -93.6 106.01 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 3' ' ' ILE . 7.1 mt -95.62 143.63 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.0 158.83 16.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.1 tt -151.2 136.76 17.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 8' ' ' LEU . 21.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 15' ' ' ILE . 5.0 tp -75.32 148.9 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.789 HD11 HD12 ' A' ' 15' ' ' ILE . 2.5 pp -142.52 -176.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -139.64 113.23 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.53 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.28 117.92 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 142.22 35.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD22 HG23 ' A' ' 70' ' ' VAL . 23.9 tp -58.45 -17.95 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -80.9 -34.46 33.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.795 0.331 . . . . 0.0 111.018 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.53 68.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.73 134.4 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -91.68 109.54 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' HB ' ' CG1' ' A' ' 5' ' ' VAL . 25.6 mt -96.38 132.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.7 140.61 29.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 176.92 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.93 111.96 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.617 HD13 ' OD1' ' A' ' 21' ' ' ASP . 2.9 pp -144.73 168.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.85 138.04 26.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 -22.15 20.79 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.747 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -82.64 -15.74 50.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.603 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.617 ' OD1' HD13 ' A' ' 17' ' ' ILE . 1.2 p-10 -64.69 125.33 24.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.889 0.376 . . . . 0.0 111.064 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.3 mttp -61.6 154.25 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 54' ' ' LYS . 21.7 t -49.16 -46.73 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.18 -31.87 21.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -73.3 -42.12 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.49 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 23' ' ' VAL . 42.2 mt -62.72 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.164 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -55.18 -48.48 73.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.729 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.1 -35.81 71.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -44.83 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.2 t -60.57 -43.49 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -55.13 -55.56 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.424 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -53.48 -27.4 24.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -78.21 -56.33 4.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.413 ' OE2' HD12 ' A' ' 36' ' ' ILE . 12.5 pt-20 -96.48 -43.47 7.61 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.16 -26.55 3.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.622 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.485 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -60.78 137.04 93.24 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.603 0.24 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 36' ' ' ILE . 23.1 Cg_endo -61.34 147.8 94.6 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.196 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.91 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.464 2.109 . . . . 0.0 112.437 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -50.7 -28.46 9.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.7 -25.2 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 69' ' ' LEU . 41.0 mt-30 -70.37 150.61 46.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -140.46 115.88 10.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 67' ' ' LEU . 8.8 tp -88.46 113.46 24.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.95 134.38 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -152.46 135.68 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 29.88 18.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.13 27.31 72.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.403 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.14 127.36 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.794 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.55 125.44 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.5 mmm -71.82 120.47 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.46 138.23 35.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -51.79 -25.88 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.485 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.93 -22.05 56.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.601 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 mmtt -88.72 -177.4 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -148.83 158.41 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.656 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.42 -44.92 12.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.434 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.06 61.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.252 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.769 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 59.1 m-85 -98.4 22.36 9.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.05 37.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.811 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' ALA . 46.4 mt -70.29 103.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mp -91.61 168.27 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.33 120.55 18.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.563 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.23 -9.48 42.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.503 ' CB ' HG23 ' A' ' 61' ' ' ILE . 50.2 m -56.21 134.58 53.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.53 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 mt -95.8 143.16 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.738 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -92.5 169.23 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 41' ' ' GLN . 5.6 tp -151.19 140.13 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.678 HG23 HD22 ' A' ' 8' ' ' LEU . 12.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 152.24 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 67' ' ' LEU . 2.6 pp -141.29 -174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 3' ' ' ILE . 15.1 mtmt -139.0 114.77 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.513 ' CG1' HD11 ' A' ' 15' ' ' ILE . 12.3 p -96.03 123.48 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 148.63 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.069 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HG13 ' A' ' 70' ' ' VAL . 7.4 tt -57.64 -19.69 28.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.367 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 m -81.24 -30.07 34.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.752 0.311 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.38 70.01 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 129.94 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.54 110.7 21.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -96.38 138.34 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 131.35 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.26 147.43 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -91.04 127.02 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.43 -176.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -148.35 148.71 29.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 54.1 Cg_exo -52.18 -24.68 21.08 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.573 2.182 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -82.79 -28.32 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.87 105.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mttp -60.97 166.47 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.924 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -49.66 -47.6 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.257 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -32.09 22.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -42.19 63.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.7 mt -62.86 -48.27 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.276 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -55.08 -48.36 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.752 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.6 -38.7 75.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.62 -44.17 91.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.735 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.5 t -60.97 -45.26 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 1.3 tt0 -54.92 -55.1 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.92 -27.33 30.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.268 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -56.4 4.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -95.7 -43.49 7.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.77 -26.28 4.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.586 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.4 mt -60.26 136.51 91.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.568 0.223 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.8 Cg_endo -63.45 148.26 92.75 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.29 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.29 -44.99 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -29.39 11.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -90.79 -24.16 20.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' OE1' HG11 ' A' ' 30' ' ' VAL . 35.1 mt-30 -70.01 162.41 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.674 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -140.97 116.44 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.683 HD23 HG13 ' A' ' 23' ' ' VAL . 17.0 tp -89.02 136.25 33.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 ' HD3' ' A' ' 42' ' ' ARG . 16.0 mm -137.63 144.98 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' HD23 ' A' ' 67' ' ' LEU . 16.8 t80 -152.43 116.23 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.84 26.78 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.13 -8.06 75.35 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.783 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 115.51 27.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.526 ' HG3' HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -64.91 117.1 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.439 ' CE ' ' CD2' ' A' ' 59' ' ' TYR . 30.0 mtp -72.13 108.27 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.77 146.94 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.55 -25.86 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.81 -23.14 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.483 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -88.89 177.29 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' CG ' ' A' ' 22' ' ' LYS . 36.2 p -149.68 162.29 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.45 -45.49 13.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.444 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.86 62.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -35.61 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.751 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 73.9 m-85 -98.05 24.76 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.84 34.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.979 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.839 HD13 HD21 ' A' ' 67' ' ' LEU . 15.9 mt -71.62 141.73 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -148.12 -174.08 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 121.1 21.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.615 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.97 -14.36 55.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.805 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.3 m -56.78 122.49 12.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.1 p -92.29 99.73 10.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 61' ' ' ILE . 2.2 mt -95.56 143.82 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' HD12 ' A' ' 43' ' ' LEU . 83.9 m-70 -91.82 164.15 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -151.26 131.7 13.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.868 HG13 HD12 ' A' ' 8' ' ' LEU . 21.9 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 15' ' ' ILE . 4.5 mm? -75.41 141.96 43.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pt -142.21 -179.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -140.35 117.27 11.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 15' ' ' ILE . 22.0 t -96.31 120.65 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -82.35 113.13 19.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 147.59 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 70' ' ' VAL . 14.1 tp -57.75 -19.79 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -81.59 -30.63 32.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.991 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.2 67.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.601 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 131.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -90.82 119.92 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mt -96.05 131.18 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.12 130.81 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.925 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.31 179.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -145.71 122.32 11.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 HG12 ' A' ' 26' ' ' ILE . 2.7 pp -144.27 153.21 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.33 150.21 41.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . 53.3 Cg_exo -52.45 -24.4 21.75 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.62 2.214 . . . . 0.0 112.289 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.5 p -82.7 -25.39 33.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -64.59 106.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HG2' HG22 ' A' ' 55' ' ' THR . 12.5 mttp -60.92 159.64 11.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -49.95 -40.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.363 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.24 -36.89 44.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.63 -41.68 65.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.9 mt -63.19 -47.85 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -48.98 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.759 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.67 -41.59 81.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -42.51 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 26' ' ' ILE . 27.5 t -61.12 -45.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.23 -54.73 39.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.9 -27.34 29.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -77.06 -56.33 4.67 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.32 -43.62 7.95 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.1 4.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.579 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.447 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -62.07 136.39 95.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.624 0.249 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 36' ' ' ILE . 35.3 Cg_endo -64.86 150.29 88.35 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.456 2.104 . . . . 0.0 112.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.33 -43.7 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.478 2.119 . . . . 0.0 112.399 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -50.74 -31.15 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.88 -22.55 20.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.006 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.1 mt-30 -69.94 145.84 51.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.13 106.72 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' ILE . 2.9 tp -89.06 149.45 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.826 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.1 mm -138.08 140.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.742 ' CD1' HD23 ' A' ' 67' ' ' LEU . 66.9 t80 -152.26 119.13 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.808 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m 61.57 23.87 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.41 -7.2 77.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.78 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -97.07 118.27 33.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.02 130.01 41.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 43' ' ' LEU . 82.0 mmm -72.02 95.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -82.01 140.83 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -51.4 -25.88 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.75 -23.69 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -89.08 -176.77 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.49 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.0 p -149.73 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.44 -47.05 13.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -51.1 -43.53 61.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.388 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.411 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 90.6 m-85 -97.35 19.27 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 35.95 37.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.89 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.591 HG23 ' CB ' ' A' ' 65' ' ' SER . 39.5 mt -70.42 104.94 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -92.68 171.7 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.6 101.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.17 -9.65 7.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.834 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.47 128.56 36.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.016 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.18 98.88 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 45' ' ' TYR . 4.2 mt -95.69 142.41 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 35.9 m170 -92.04 167.69 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.2 tt -151.22 130.56 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.931 HG13 HD13 ' A' ' 8' ' ' LEU . 18.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.987 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.871 0.367 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -75.6 153.07 37.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.447 HD12 HD12 ' A' ' 67' ' ' LEU . 18.8 pt -141.81 -179.05 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -141.17 108.9 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.4 t -96.57 117.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -81.89 121.82 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.27 157.39 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 7' ' ' THR . 1.1 pt? -56.76 -22.62 37.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -83.11 -30.71 27.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.951 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.82 -13.24 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.845 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -71.05 131.66 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 115.05 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.3 118.66 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 134.79 33.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.51 -174.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.99 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -149.5 118.66 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.855 HD13 HG12 ' A' ' 26' ' ' ILE . 1.7 pt -144.16 155.49 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.43 152.47 43.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.32 -23.27 23.08 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.568 2.179 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 m -82.27 -21.41 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.6 108.01 1.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mtmm -60.77 161.83 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.896 ' HA ' HD12 ' A' ' 26' ' ' ILE . 28.9 t -50.4 -43.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -51.14 -34.38 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -72.95 -41.27 64.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 23' ' ' VAL . 10.8 mt -63.04 -47.99 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.254 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -49.33 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.69 -37.05 72.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.662 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 26' ' ' ILE . 32.6 t -62.55 -47.49 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -57.44 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.76 -27.13 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.358 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -77.43 -56.32 4.64 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -43.57 8.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.18 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.8 mt -137.57 140.04 28.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 36' ' ' ILE . 52.9 Cg_exo -52.15 133.31 46.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.95 -41.23 2.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.108 . . . . 0.0 112.183 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.55 -25.41 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -89.05 -25.84 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.211 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HB3' HD11 ' A' ' 69' ' ' LEU . 75.4 mt-30 -69.14 158.71 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -141.14 116.1 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 67' ' ' LEU . 14.2 tp -89.51 109.03 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.515 HD11 ' HD2' ' A' ' 42' ' ' ARG . 26.9 mm -100.3 130.33 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.687 ' CD1' HD23 ' A' ' 67' ' ' LEU . 10.6 t80 -152.32 132.06 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.1 36.12 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 28.07 64.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -142.13 125.01 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -64.78 122.13 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.562 ' SD ' HD23 ' A' ' 43' ' ' LEU . 63.6 mtp -71.88 117.36 13.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.76 143.01 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -51.92 -25.18 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.585 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.32 -21.15 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.553 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -88.52 -178.02 5.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 22' ' ' LYS . 26.0 p -149.23 161.9 41.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.965 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.59 -46.43 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.03 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -32.38 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.1 m-85 -98.62 21.69 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.969 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.41 35.09 0.05 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.732 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.3 mt -70.61 100.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.37 171.03 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.71 113.87 4.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.78 -4.77 29.17 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.582 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.6 m -56.67 137.04 54.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 t -93.22 106.57 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.687 HD23 ' CD1' ' A' ' 45' ' ' TYR . 13.9 mt -95.93 129.32 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -91.79 106.0 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 41' ' ' GLN . 7.8 tp -85.97 138.05 32.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -144.87 157.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.1 tp -78.74 146.14 34.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.62 118.67 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.34 166.07 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -168.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.2 -32.68 7.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.437 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.322 -1.266 . . . . 0.0 112.449 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -75.3 148.53 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 67' ' ' LEU . 26.5 pt -141.92 149.71 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 114.59 28.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.723 ' HB ' HD11 ' A' ' 15' ' ' ILE . 12.1 p -96.15 121.26 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -81.24 120.9 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 155.41 28.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -20.7 31.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.302 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -34.11 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.008 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.79 -15.92 4.82 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -173.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -149.22 117.35 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' HG12 ' A' ' 5' ' ' VAL . 32.0 mt -96.7 145.63 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.69 142.49 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.65 176.42 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -149.67 117.29 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.803 HD13 ' CD1' ' A' ' 26' ' ' ILE . 1.7 pt -144.3 150.95 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.45 151.42 42.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -52.76 -25.27 26.23 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.63 2.22 . . . . 0.0 112.319 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -82.59 -23.34 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.93 109.91 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 55' ' ' THR . 4.4 mttp -61.0 160.37 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.11 -43.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -51.16 -33.56 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -73.03 -41.38 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.409 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 17' ' ' ILE . 39.9 mt -63.23 -47.82 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -49.25 72.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -57.49 -37.93 73.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -64.38 -42.46 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' OE1' ' A' ' 41' ' ' GLN . 18.2 t -60.72 -45.43 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.668 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 3.3 tt0 -55.75 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.33 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.353 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.25 -56.28 4.69 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' HG12 ' A' ' 30' ' ' VAL . 3.0 pm0 -95.94 -43.36 7.85 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.83 -28.18 3.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HD2' ' A' ' 37' ' ' PRO . 41.9 mt -60.74 136.86 93.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.525 0.202 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.3 Cg_endo -60.31 143.78 99.5 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.73 -41.0 2.42 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.146 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -50.66 -28.37 8.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -90.8 -26.17 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG11 ' A' ' 30' ' ' VAL . 48.6 mt-30 -71.24 149.36 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HB3' HG13 ' A' ' 70' ' ' VAL . 5.8 tpt180 -141.76 120.47 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 6.9 tp -89.07 146.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 43' ' ' LEU . 12.6 mm -138.04 142.88 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -152.04 113.22 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 m 61.04 29.73 19.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.764 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -1.0 86.7 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.757 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -96.82 111.84 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.29 127.52 32.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.566 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.94 104.09 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.73 137.57 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -51.61 -26.11 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 -24.26 56.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.42 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -89.1 -178.8 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 22' ' ' LYS . 16.0 p -149.26 162.82 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.74 -49.32 14.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.414 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.18 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -31.88 70.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 19.9 m-85 -97.77 19.41 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.13 34.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.844 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 65' ' ' SER . 32.7 mt -70.9 101.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.31 167.8 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.95 115.41 5.55 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.46 -10.53 21.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.654 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.581 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.6 m -56.08 136.63 52.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.06 106.0 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 43' ' ' LEU . 13.8 mt -95.81 127.57 41.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -91.67 108.58 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.2 tp -86.44 139.78 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 42' ' ' ARG . 14.9 p -145.88 145.3 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.223 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.3 tt -78.76 146.69 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' N ' HD23 ' A' ' 71' ' ' LEU . . . -78.98 121.13 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.1 pt? -159.51 177.91 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.18 -53.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.73 -28.05 15.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.855 0.359 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.6 pp -75.26 147.76 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 67' ' ' LEU . 2.3 pp -142.5 -178.33 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -140.34 111.39 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.78 112.46 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -82.0 122.74 28.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.31 144.1 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -57.54 -19.15 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.46 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 m -81.24 -35.21 31.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.02 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.74 66.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.5 128.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.44 117.42 29.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 15' ' ' ILE . 22.2 mt -95.94 141.15 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.813 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.5 mt-10 -88.75 125.17 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -140.79 170.2 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -145.27 122.93 11.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.451 HG22 HH21 ' A' ' 29' ' ' ARG . 2.7 pp -144.39 152.31 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.34 146.4 33.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.659 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.6 Cg_exo -53.25 -23.77 24.37 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.53 2.153 . . . . 0.0 112.427 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t -82.47 -26.47 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.043 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.63 116.16 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' ' 55' ' ' THR . 6.7 mttt -60.8 160.5 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -50.23 -43.68 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.19 -33.96 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.0 -41.21 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.1 mt -62.64 -48.31 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.159 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -55.36 -48.17 74.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.701 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.72 -36.72 72.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.451 HH21 HG22 ' A' ' 17' ' ' ILE . 3.4 tpp180 -63.97 -42.8 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.0 t -61.89 -47.2 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.76 -57.6 10.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -53.43 -27.25 23.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.349 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -56.42 4.52 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 -43.42 7.65 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.38 44.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.4 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.413 HG23 ' HD2' ' A' ' 37' ' ' PRO . 33.1 mt -124.85 136.14 27.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 36' ' ' ILE . 20.3 Cg_endo -60.55 124.52 15.24 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.513 2.142 . . . . 0.0 112.187 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.42 -42.49 65.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.459 2.106 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.64 -30.43 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -90.79 -23.77 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.985 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.66 151.15 45.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.25 113.59 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 44' ' ' ILE . 12.1 tp -88.8 146.95 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.6 mm -138.05 144.9 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.482 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.1 t80 -152.17 119.3 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 24.82 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.08 -9.74 71.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.13 121.33 37.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.74 126.77 28.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 43' ' ' LEU . 3.9 mtp -71.86 107.14 4.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -81.71 139.49 34.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -51.57 -26.01 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.507 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.83 -22.72 56.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.476 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -88.8 -177.63 5.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 22' ' ' LYS . 17.8 p -149.33 161.13 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.32 -47.91 13.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.432 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.23 -45.02 61.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.03 -31.62 70.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.716 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 35.2 m-85 -98.47 22.08 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.674 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.52 35.35 0.06 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.794 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG23 ' CB ' ' A' ' 65' ' ' SER . 33.2 mt -70.93 96.39 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -91.49 175.14 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 103.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.93 -7.92 8.71 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.767 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.551 ' CB ' HG23 ' A' ' 61' ' ' ILE . 27.2 m -56.19 137.51 51.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.833 0.349 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.95 106.82 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 3' ' ' ILE . 12.4 mt -95.53 126.71 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -91.58 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.53 143.34 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.92 129.6 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 146.75 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.54 -172.83 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -80.31 118.62 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -79.82 78.77 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.11 -93.68 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.56 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tpp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -75.36 146.95 40.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.921 HD13 HD12 ' A' ' 67' ' ' LEU . 2.0 pp -142.02 -176.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -140.52 118.26 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.4 p -95.71 119.49 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.058 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.63 123.25 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 153.58 29.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.29 -21.25 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.0 m -82.43 -32.04 29.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.031 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -13.59 4.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.829 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 179.12 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.13 115.53 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -96.2 127.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.77 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.29 -179.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -149.18 115.27 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.21 172.39 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.43 144.36 29.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.79 -21.26 31.88 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.463 2.109 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.1 p -82.47 -20.54 36.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.353 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.51 116.93 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.3 mttp -61.41 160.43 10.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 26' ' ' ILE . 22.4 t -50.18 -44.3 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.0 -31.98 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -45.35 53.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.843 HD12 ' HA ' ' A' ' 23' ' ' VAL . 6.7 mt -62.57 -47.02 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.228 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -48.78 73.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.93 -36.7 72.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -63.87 -41.75 97.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.562 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.7 t -61.39 -46.44 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.54 -56.67 16.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -52.93 -27.42 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.251 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE3' HG23 ' A' ' 15' ' ' ILE . 17.7 mmtt -78.81 -56.29 4.52 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -97.24 -43.38 7.37 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 32.6 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.8 mt -110.98 136.25 20.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.561 0.219 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 36' ' ' ILE . 21.8 Cg_endo -61.01 117.88 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.579 2.186 . . . . 0.0 112.215 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.41 -40.53 70.92 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.088 . . . . 0.0 112.299 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.67 -28.62 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -91.0 -25.21 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.459 ' CB ' HD11 ' A' ' 69' ' ' LEU . 39.6 mt-30 -70.59 144.38 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -139.71 113.25 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 67' ' ' LEU . 9.3 tp -88.52 115.54 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.503 HD11 ' HD3' ' A' ' 42' ' ' ARG . 21.3 mm -101.48 142.89 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.68 124.47 8.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m 61.48 20.36 11.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.21 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.46 -14.78 60.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.2 125.47 40.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.392 . . . . 0.0 110.968 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.97 125.39 24.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.659 ' HE3' HD11 ' A' ' 61' ' ' ILE . 85.6 mtp -71.77 115.04 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -81.78 140.28 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.2 -26.36 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.552 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -75.74 -19.37 59.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.608 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.37 -176.12 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 22' ' ' LYS . 11.3 p -148.81 159.56 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.71 -48.54 15.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.08 -44.06 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.92 -30.72 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 33.7 m-85 -97.9 21.81 10.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.036 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.89 37.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.858 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.659 HD11 ' HE3' ' A' ' 50' ' ' MET . 31.6 mt -70.44 108.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -91.61 168.14 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.71 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -2.01 28.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.563 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -56.98 136.74 56.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.41 106.9 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 43' ' ' LEU . 11.1 mt -95.95 131.08 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -92.08 105.91 18.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 41' ' ' GLN . 25.9 tp -86.09 137.92 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' HA ' HD23 ' A' ' 8' ' ' LEU . 12.0 p -146.26 154.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' N ' HG22 ' A' ' 70' ' ' VAL . 2.7 tp -78.97 129.05 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.04 164.02 24.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -80.69 -72.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.97 86.8 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.29 135.5 18.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.579 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.483 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.27 153.06 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.454 HD12 HD12 ' A' ' 67' ' ' LEU . 2.3 pt -141.41 145.28 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.64 114.2 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 15' ' ' ILE . 26.0 t -95.01 119.95 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -81.79 125.35 30.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 152.51 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 70' ' ' VAL . 7.7 tt -57.42 -20.32 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.401 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -29.18 32.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.56 -12.54 5.69 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.886 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -179.61 2.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -149.01 103.91 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -97.04 130.09 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.6 143.69 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.758 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.35 141.98 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 111.233 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.72 110.1 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.43 149.19 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.54 146.76 33.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.1 Cg_exo -53.28 -24.03 25.53 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.559 2.172 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -82.68 -20.44 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.67 116.73 6.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 mttm -61.03 160.22 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 t -50.21 -44.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.275 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.24 -32.55 24.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -73.34 -42.89 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 30' ' ' VAL . 49.4 mt -63.24 -47.49 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.292 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -50.6 68.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.712 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.98 -35.41 71.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.514 ' HD2' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.57 -45.6 86.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.9 t -61.12 -46.85 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.07 -54.86 37.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.63 -27.26 26.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -56.38 4.62 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.84 -43.5 7.82 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.55 -26.75 4.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.591 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.014 HD13 HD21 ' A' ' 71' ' ' LEU . 47.2 mt -59.94 137.04 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.507 0.194 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 36' ' ' ILE . 29.4 Cg_endo -63.17 142.27 86.07 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.456 2.104 . . . . 0.0 112.144 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -39.22 4.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.509 2.14 . . . . 0.0 112.403 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -50.61 -29.29 10.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.78 -25.51 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HD11 ' A' ' 69' ' ' LEU . 44.3 mt-30 -72.34 154.3 41.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -139.32 116.37 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' SD ' ' A' ' 50' ' ' MET . 16.4 tp -88.17 107.08 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 42' ' ' ARG . 23.2 mm -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.688 ' CD1' HD23 ' A' ' 67' ' ' LEU . 52.1 t80 -151.95 119.74 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 m 60.68 23.15 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.74 66.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.845 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -96.23 116.47 29.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 121.16 14.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.44 ' CE ' ' CD1' ' A' ' 59' ' ' TYR . 41.3 mtp -71.85 105.11 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -81.73 147.83 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -25.62 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.531 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.35 -25.59 57.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -89.16 -178.04 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 22' ' ' LYS . 16.4 p -149.73 160.35 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.5 -48.18 14.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.517 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -39.24 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.07 -34.03 71.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' CE ' ' A' ' 50' ' ' MET . 42.9 m-85 -97.67 23.5 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.59 38.48 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 65' ' ' SER . 23.9 mt -70.69 111.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -91.22 166.83 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.86 2.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.42 1.19 33.02 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.817 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.586 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -56.73 144.25 33.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.932 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.81 108.14 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 45' ' ' TYR . 14.2 mt -96.46 174.21 6.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -142.99 106.19 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 70' ' ' VAL . 1.6 tt -85.88 153.14 22.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.997 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 8' ' ' LEU . 22.0 t -145.39 121.97 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.014 HD21 HD13 ' A' ' 36' ' ' ILE . 6.8 mp -79.4 144.88 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.59 -165.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.19 112.31 17.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -79.85 86.58 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.95 -134.25 31.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.533 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -75.53 153.09 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 67' ' ' LEU . 2.2 pp -140.92 -176.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -141.14 114.98 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 69' ' ' LEU . 11.7 p -96.27 127.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 124.04 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 138.57 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -57.8 -17.42 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.385 179.807 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -80.7 -36.25 32.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.59 64.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.87 -173.36 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.67 112.27 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.98 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.5 mt -96.97 144.9 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.43 137.85 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.769 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -143.49 141.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 111.15 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.87 119.18 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.608 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.42 138.32 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -91.86 148.71 37.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 -29.5 58.44 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -83.05 -21.16 33.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.356 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.94 110.58 2.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.2 mtmp? -61.01 164.89 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.88 -46.11 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.09 -32.47 22.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -73.65 -44.98 55.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.6 mt -63.35 -45.9 96.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.279 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -54.57 41.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.953 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.04 -32.69 68.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -64.88 -46.0 83.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.612 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 t -60.88 -44.07 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.61 -55.83 25.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.06 -27.5 32.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -78.37 -56.31 4.55 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -95.67 -43.56 7.86 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -24.94 4.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 37' ' ' PRO . 39.2 mt -60.45 136.24 91.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.569 0.223 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 39.5 Cg_endo -66.96 138.04 46.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.496 2.131 . . . . 0.0 112.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -58.25 -45.05 33.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.396 2.064 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.69 -28.93 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -90.6 -24.97 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.44 150.75 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HD3' HD11 ' A' ' 44' ' ' ILE . 4.8 ttm180 -141.29 113.86 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.4 tp -88.87 143.8 26.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.777 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.3 mm -138.03 142.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -152.11 122.66 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m 61.15 21.83 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.41 -14.25 61.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.754 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -96.37 122.67 39.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.13 136.05 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.715 ' SD ' HD23 ' A' ' 43' ' ' LEU . 2.0 mtp -71.94 119.28 15.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -81.76 133.71 35.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.79 -35.62 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.416 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.99 -13.51 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.691 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -88.83 -177.32 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.568 HG22 ' CG ' ' A' ' 22' ' ' LYS . 25.5 p -149.3 160.93 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.91 -45.56 15.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.409 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.36 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.93 -32.8 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 12.9 m-85 -98.6 21.62 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.68 34.6 0.06 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.774 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.613 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.0 mt -71.06 99.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -91.13 170.67 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.35 116.23 6.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 -3.83 34.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.33 138.01 51.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 106.29 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 3' ' ' ILE . 27.4 mt -96.58 127.79 42.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -91.11 112.72 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.017 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -86.67 144.0 27.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -146.19 142.2 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mp -78.91 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.78 172.6 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 73' ' ' LEU . 18.2 mt -158.87 93.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 62.07 103.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.19 57.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.315 -1.27 . . . . 0.0 112.565 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.758 0.313 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.49 143.82 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.608 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.0 pt -142.13 149.63 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -105.63 118.45 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -96.21 117.51 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -81.81 123.25 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 156.66 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.087 HD13 HG13 ' A' ' 70' ' ' VAL . 60.1 tp -57.03 -21.46 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -29.63 30.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.047 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.34 -9.66 6.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 179.88 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.02 111.85 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.4 mt -96.33 130.63 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -87.79 137.69 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.644 HG23 ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.37 -177.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.63 121.15 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.15 162.53 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.29 148.57 38.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.46 -21.82 25.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.621 2.214 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p -82.2 -23.85 35.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.168 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.72 107.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.6 mttp -60.9 166.26 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.9 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -50.04 -42.92 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.224 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.21 -33.43 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -45.61 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.52 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.1 mt -62.24 -46.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -49.63 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.94 -36.28 72.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -42.59 96.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' ILE . 29.6 t -61.44 -48.21 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.67 -55.69 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.15 -27.45 21.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.368 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HE2' HG23 ' A' ' 15' ' ' ILE . 5.4 mmmt -78.27 -56.34 4.53 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.48 -43.5 7.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 33.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.462 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.2 mm -111.94 135.99 21.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.529 0.204 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.33 125.24 15.85 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.472 2.114 . . . . 0.0 112.188 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.7 -46.92 28.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.506 2.137 . . . . 0.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -50.88 -27.97 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.83 -25.09 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -69.63 158.29 35.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -140.64 113.74 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.5 tp -89.44 135.74 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 43' ' ' LEU . 11.4 mm -136.82 129.51 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.9 t80 -152.5 136.48 16.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.38 31.44 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.25 72.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.422 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -142.06 125.61 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.8 122.94 18.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.592 ' SD ' HD23 ' A' ' 43' ' ' LEU . 27.7 mtp -72.3 113.54 9.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.75 143.67 31.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -51.98 -25.37 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.532 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.49 -20.69 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.583 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -88.57 179.65 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 22' ' ' LYS . 11.2 p -149.53 160.93 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.54 -50.61 12.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.488 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -42.13 61.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 39.9 m-85 -97.9 20.87 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.571 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 36.78 37.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.866 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 56' ' ' ALA . 36.3 mt -70.59 101.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 60' ' ' LYS . 3.6 mp -91.43 171.28 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.46 109.98 2.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.62 -10.9 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.747 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.576 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.6 m -56.31 133.4 52.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.35 99.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mt -95.84 135.05 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -91.87 161.8 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -151.26 140.09 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.087 HG13 HD13 ' A' ' 8' ' ' LEU . 21.9 t -145.6 143.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -79.21 148.08 32.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.11 162.73 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mt 57.79 88.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.02 142.69 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.03 86.96 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.559 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.51 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.823 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.43 149.33 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 pt -142.12 -177.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -140.9 112.38 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG21 HD12 ' A' ' 15' ' ' ILE . 23.7 t -95.67 114.52 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -82.1 120.28 25.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.525 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.25 170.51 16.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.979 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt? -56.61 -26.32 55.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -83.06 -29.98 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.91 -0.79 15.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -71.24 120.98 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.09 103.94 16.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -96.07 138.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.0 130.19 35.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.55 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.02 142.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.8 126.95 37.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.574 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.6 139.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -91.37 147.43 35.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.89 -27.51 53.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.488 2.125 . . . . 0.0 112.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.7 p -83.15 -24.77 32.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 108.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 55' ' ' THR . 2.1 mttm -60.74 169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -49.66 -44.67 19.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.277 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -32.46 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -73.18 -42.27 62.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.8 mt -63.81 -47.04 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.295 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -54.6 39.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.981 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -34.15 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -47.95 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 26' ' ' ILE . 11.2 t -61.67 -43.39 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -53.57 -58.3 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.01 -27.27 30.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.131 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -77.87 -56.2 4.69 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.47 -43.56 7.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.17 -24.17 5.39 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.764 HG21 HD21 ' A' ' 71' ' ' LEU . 40.2 mt -59.29 136.57 88.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.533 0.206 . . . . 0.0 111.045 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.8 Cg_endo -60.45 137.72 75.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.545 2.163 . . . . 0.0 112.226 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.9 Cg_exo -61.4 -49.32 7.76 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.436 2.091 . . . . 0.0 112.464 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -50.37 -28.63 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.12 -26.16 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.828 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -72.27 109.04 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.3 ttp85 -99.74 121.42 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 tp -88.32 143.6 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 43' ' ' LEU . 7.1 mm -137.88 124.9 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD2' HD23 ' A' ' 67' ' ' LEU . 17.1 t80 -152.52 139.47 19.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.639 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m 61.71 30.9 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.79 25.36 67.51 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.317 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -142.1 131.13 23.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.616 ' CD ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.76 130.06 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.78 ' SD ' HD23 ' A' ' 43' ' ' LEU . 15.9 mtp -72.21 113.24 9.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.01 138.79 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -51.73 -25.43 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.537 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.37 -22.36 57.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.545 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 -178.34 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 22' ' ' LYS . 26.7 p -149.53 164.29 35.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.77 15.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.433 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -42.61 61.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -31.08 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 17.3 m-85 -97.79 24.64 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.04 34.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.922 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 65' ' ' SER . 17.2 mt -71.94 145.06 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 60' ' ' LYS . 4.1 mp -148.37 -178.48 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.98 119.08 12.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.34 -9.31 59.2 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.668 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.556 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.8 m -56.47 130.62 45.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.56 100.45 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CD2' ' A' ' 45' ' ' TYR . 10.9 mt -95.65 140.14 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.752 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.77 164.9 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.917 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 6.2 tp -151.15 140.23 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -145.75 132.51 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.764 HD21 HG21 ' A' ' 36' ' ' ILE . 1.5 mm? -78.57 138.44 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.59 99.1 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 71' ' ' LEU . 2.7 pp -159.5 -42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' N ' HD12 ' A' ' 73' ' ' LEU . 42.1 mtt180 -79.17 -29.59 43.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.26 -46.23 1.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.475 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 3' ' ' ILE . 6.0 tt -75.3 152.98 38.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.636 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.4 pt -142.1 -178.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -141.7 112.51 7.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.0 p -96.35 122.81 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -81.85 132.83 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 157.16 27.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.95 -21.77 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.244 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.7 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.01 -2.82 6.84 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.857 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -177.15 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.787 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.45 103.91 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.25 133.83 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -88.58 132.95 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.51 141.5 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -91.02 118.92 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.2 142.02 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -91.42 158.59 40.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.6 Cg_endo -65.87 -23.73 54.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.346 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -82.58 -23.56 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -64.63 115.24 5.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.2 mmtp -61.09 158.92 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.901 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.8 -44.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -33.04 25.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.012 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -41.29 64.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 23' ' ' VAL . 11.1 mt -63.05 -48.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.288 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -49.17 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.828 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.87 -37.03 73.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -48.08 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 15' ' ' ILE . 21.0 t -60.68 -43.35 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.14 -56.7 15.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.07 -27.35 32.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.327 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 -56.41 4.52 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.27 -43.32 7.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.36 -20.48 4.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.51 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.0 133.61 87.33 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.549 0.214 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.2 140.15 63.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.394 2.063 . . . . 0.0 112.083 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.77 -47.54 5.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.557 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -50.56 -31.17 14.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -91.54 -23.0 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -70.75 144.88 50.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -141.08 111.99 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD21 HD13 ' A' ' 67' ' ' LEU . 6.7 tp -88.28 144.71 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -138.06 143.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.997 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.1 t80 -151.91 131.89 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m 60.55 21.32 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.66 -15.01 59.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.752 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -96.11 120.09 35.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.05 127.38 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.1 mtp -71.98 103.12 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -81.8 146.71 29.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -51.23 -25.98 6.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.64 -25.72 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.372 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -177.39 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 22' ' ' LYS . 21.4 p -149.2 160.7 43.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.36 -46.37 13.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.467 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.4 63.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.36 -31.02 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -97.58 23.31 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.66 35.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD13 HD21 ' A' ' 67' ' ' LEU . 31.0 mt -70.78 104.79 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.38 170.53 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.48 116.24 8.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.64 -6.33 41.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.804 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.418 ' CB ' HG23 ' A' ' 61' ' ' ILE . 24.9 m -57.1 136.91 56.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.358 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.779 HG22 ' HD2' ' A' ' 4' ' ' LYS . 17.0 t -92.47 107.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.647 HD13 HD21 ' A' ' 43' ' ' LEU . 13.9 mt -94.97 133.06 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -91.52 105.47 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.53 139.23 31.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.91 143.98 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.7 141.56 37.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.21 78.09 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.64 153.55 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 31.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.61 -157.6 24.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.527 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.815 0.341 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.26 153.05 38.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 67' ' ' LEU . 34.8 pt -142.33 -178.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -141.14 115.63 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.813 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.9 t -95.96 114.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -81.91 124.75 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.33 149.28 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -57.19 -20.72 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.363 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 -32.01 29.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.0 -8.54 5.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.953 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -71.26 -177.36 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -149.23 109.45 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.5 mt -96.44 121.71 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -88.13 138.39 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.813 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.47 -176.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.53 117.98 8.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.08 160.93 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.31 157.09 43.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.0 Cg_endo -65.6 -24.2 56.07 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.585 2.19 . . . . 0.0 112.371 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -82.79 -23.38 33.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.64 117.56 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.5 mttp -61.02 158.32 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.41 -43.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.23 -32.43 24.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -44.15 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.8 mt -62.43 -47.88 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.264 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -48.37 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.78 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.74 -37.33 73.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -47.43 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 15' ' ' ILE . 21.4 t -60.87 -42.55 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.31 -56.53 17.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.463 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.21 -27.34 33.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -56.25 4.66 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.72 -43.48 7.87 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.19 -23.35 4.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.66 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 37' ' ' PRO . 50.1 mt -57.8 136.59 83.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 49.4 Cg_endo -69.02 141.95 49.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.515 2.143 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.0 Cg_exo -60.11 -45.14 24.98 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.456 2.104 . . . . 0.0 112.465 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -50.67 -31.9 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.281 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.9 -21.43 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.18 99.76 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.038 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.667 ' HD3' ' HB2' ' A' ' 72' ' ' ALA . 7.0 tpt180 -99.14 106.55 18.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.71 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.7 tp -88.4 145.26 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.71 HD13 ' O ' ' A' ' 43' ' ' LEU . 16.8 mm -138.11 143.74 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -152.23 123.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 m 58.58 24.09 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.49 -9.0 72.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.961 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 121.77 38.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.07 126.7 28.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 mmm -71.97 105.28 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.61 135.11 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -51.85 -24.9 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.569 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.34 -22.8 57.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.405 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -88.76 -171.99 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 9.7 p -149.48 161.61 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.41 -52.62 9.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.525 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . . . -51.29 -39.32 56.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -33.24 70.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -97.72 23.94 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.72 34.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 67' ' ' LEU . 29.0 mt -70.83 116.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.0 162.45 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.1 112.86 4.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.65 -3.21 30.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.811 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -57.12 142.78 41.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.23 111.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD1' HD12 ' A' ' 3' ' ' ILE . 9.0 mt -95.93 134.45 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.713 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -91.55 105.49 17.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -86.47 138.17 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.99 147.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -78.63 125.49 29.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . . . -78.83 120.94 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -80.67 68.42 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 58.01 92.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.35 -67.59 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.3 150.42 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.12 179.34 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -141.79 114.31 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -95.92 118.78 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -81.73 127.22 32.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.45 155.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.39 -21.27 35.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -82.28 -29.82 30.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.61 -13.97 5.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 178.53 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -149.35 116.43 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -96.31 140.29 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.4 137.67 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.422 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.62 -175.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -149.47 122.04 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.813 HD13 HG12 ' A' ' 26' ' ' ILE . 2.3 pt -144.09 156.72 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -91.34 165.18 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.11 -24.9 58.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.52 2.147 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -82.94 -23.33 33.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.54 105.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mtmm -61.13 162.38 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.9 t -50.13 -43.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.218 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.09 -33.3 25.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -72.94 -41.67 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.325 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.813 HG12 HD13 ' A' ' 17' ' ' ILE . 29.4 mt -63.2 -47.49 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.3 mttt -55.16 -48.4 73.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.775 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.29 -39.6 76.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.11 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 26' ' ' ILE . 24.0 t -62.81 -46.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.83 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -58.15 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.26 -27.22 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.303 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -78.06 -56.35 4.55 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -95.3 -43.46 8.03 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.79 27.81 2.22 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.703 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 37' ' ' PRO . 32.0 mt -111.56 136.11 21.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.507 0.194 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.9 Cg_endo -58.96 144.07 99.35 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.502 2.134 . . . . 0.0 112.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.94 -44.27 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.522 2.148 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.8 -28.52 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -90.68 -25.14 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.2 143.48 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -140.98 123.48 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.777 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -89.32 147.45 24.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 43' ' ' LEU . 23.6 mm -138.07 139.94 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -152.11 116.11 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 27.66 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.89 -6.34 79.07 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.02 111.97 23.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.99 120.22 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.587 ' HE3' HD11 ' A' ' 61' ' ' ILE . 19.1 mtp -71.92 116.54 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -81.66 144.26 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.89 -30.13 32.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.425 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.73 -12.53 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.789 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -88.88 -178.0 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.0 p -149.33 158.43 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.39 -47.71 13.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.574 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.78 61.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -34.98 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.435 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 28.3 m-85 -97.64 22.98 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.47 39.74 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.61 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.7 mt -69.92 99.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.47 172.91 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.95 114.67 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.16 -0.61 38.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.766 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.61 ' CB ' HG23 ' A' ' 61' ' ' ILE . 71.3 m -56.72 136.74 55.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.55 106.14 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.471 HD21 HD13 ' A' ' 61' ' ' ILE . 15.2 mt -96.15 127.33 42.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.1 110.17 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -86.98 133.97 33.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.688 ' N ' HD13 ' A' ' 69' ' ' LEU . 12.5 p -146.07 145.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.115 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 122.52 26.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . . . -79.51 133.52 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt 55.4 -172.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.04 127.44 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -46.32 1.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.493 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -75.54 153.09 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HD12 ' A' ' 15' ' ' ILE . 30.5 pt -142.18 -176.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -140.76 108.99 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 15' ' ' ILE . 14.2 p -96.93 123.79 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.03 125.04 30.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 163.36 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 9' ' ' THR . 2.0 pp -55.97 -22.9 29.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.289 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.863 ' N ' HD12 ' A' ' 8' ' ' LEU . 90.1 m -83.3 -34.12 25.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.71 -17.04 5.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.7 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -70.96 127.53 32.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.43 115.62 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 mt -96.07 138.8 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.04 138.96 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -143.28 -176.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.54 116.39 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 29' ' ' ARG . 2.6 pp -144.27 159.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.29 154.01 44.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 36.6 Cg_endo -65.59 -25.6 54.7 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.1 m -82.89 -23.31 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -65.06 118.04 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' CG ' HG22 ' A' ' 55' ' ' THR . 10.2 mtmm -61.39 164.61 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.29 -42.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.333 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -51.06 -34.5 30.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -41.0 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.355 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.97 -48.57 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.244 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.06 70.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.661 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.95 -34.51 69.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.66 -45.51 86.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.09 -44.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.75 -55.72 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.0 -27.32 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.263 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' A' ' 15' ' ' ILE . 1.9 mmtm -77.52 -56.3 4.65 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.61 -43.58 7.87 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -26.09 4.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 37' ' ' PRO . 52.4 mt -61.46 137.05 94.61 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.596 0.236 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.1 Cg_endo -63.57 148.27 92.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.449 2.1 . . . . 0.0 112.247 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 -40.13 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.552 2.168 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.67 -29.52 11.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.64 -24.9 20.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' OE1' HD11 ' A' ' 69' ' ' LEU . 46.9 mt-30 -72.11 153.11 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.009 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 117.69 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 4.7 tp -88.93 136.19 33.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -132.39 143.11 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -152.07 131.48 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m 60.37 19.77 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -15.94 58.29 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -95.9 126.51 41.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -64.96 123.84 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.466 ' HE3' HD11 ' A' ' 61' ' ' ILE . 88.0 mtp -71.78 113.61 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 143.08 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -52.18 -25.18 8.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.532 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.45 -20.61 58.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.51 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -88.65 -177.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 22' ' ' LYS . 12.2 p -149.42 159.78 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.67 -48.04 14.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.14 61.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.72 -31.64 69.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 57.0 m-85 -98.41 22.52 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.94 35.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.814 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.1 mt -70.48 101.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.42 171.93 8.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.37 116.08 7.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.12 -4.9 35.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.799 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.564 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.75 140.35 47.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.847 0.355 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.07 106.97 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 61' ' ' ILE . 59.5 mt -95.44 125.93 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 99.11 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.4 tt -87.07 149.18 24.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.33 148.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.622 ' HB2' HD23 ' A' ' 8' ' ' LEU . 16.2 tp -78.57 152.83 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.58 157.16 31.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.001 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.69 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -169.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.37 157.26 27.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.575 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.59 148.92 38.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 67' ' ' LEU . 2.7 pp -141.93 157.35 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 116.55 32.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.867 HG21 HD11 ' A' ' 15' ' ' ILE . 23.4 t -96.48 123.27 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.74 123.91 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.587 ' HB ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -79.43 154.94 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 71' ' ' LEU . 4.1 tp -57.74 -19.6 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.455 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 7' ' ' THR . 13.6 t -82.01 -29.64 31.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.643 0.259 . . . . 0.0 111.059 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.7 -19.14 5.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.767 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' H ' HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -70.76 -173.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -149.19 115.42 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.436 HD12 ' OE2' ' A' ' 34' ' ' GLU . 24.2 mt -96.29 132.1 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -87.94 139.84 30.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.25 176.1 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -149.22 118.23 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -144.25 179.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.25 153.4 44.55 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.85 -20.78 45.15 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.568 2.179 . . . . 0.0 112.415 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.1 p -82.52 -18.09 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.22 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.54 114.37 4.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' CG ' HG22 ' A' ' 55' ' ' THR . 11.1 mtmt -60.98 162.31 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.85 -43.76 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.359 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.22 -33.97 30.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.036 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -40.04 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.305 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 30' ' ' VAL . 36.2 mt -62.85 -48.47 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.195 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -55.24 -47.95 74.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.55 -38.44 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -64.18 -42.19 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 26' ' ' ILE . 18.4 t -61.2 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.35 -54.71 40.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.67 -27.38 27.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.226 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -56.35 4.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE2' HD12 ' A' ' 13' ' ' ILE . 11.6 mt-10 -95.75 -43.57 7.82 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.3 4.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.572 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.7 mt -60.39 136.39 91.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.534 0.207 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.2 Cg_endo -65.82 136.0 43.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.465 2.11 . . . . 0.0 112.244 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -59.31 -37.42 90.87 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.478 2.119 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.56 -31.06 14.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -90.95 -23.36 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' OE1' HD11 ' A' ' 69' ' ' LEU . 64.9 mt-30 -71.04 152.67 43.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -140.62 116.46 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.41 125.51 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 70' ' ' VAL . 24.0 mt -137.99 147.45 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -152.2 130.1 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.67 23.37 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -7.69 75.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.929 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -96.3 117.65 31.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.98 124.07 21.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.1 mmm -72.12 119.7 16.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.97 133.78 35.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -52.05 -27.91 15.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.435 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.85 -19.92 58.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.557 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -88.76 -174.58 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.474 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.5 p -148.84 158.73 44.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.61 -46.28 14.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -43.51 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -29.4 68.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 68.0 m-85 -97.77 21.15 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 36.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.4 mt -70.37 105.04 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.39 165.89 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.0 113.96 4.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.554 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.27 -10.5 19.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.757 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.495 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.0 m -56.64 137.57 53.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.28 106.18 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 3' ' ' ILE . 31.7 mt -95.71 126.87 41.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -91.72 109.24 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' OE1' ' A' ' 41' ' ' GLN . 5.8 tt -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 44' ' ' ILE . 12.4 t -97.86 161.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 70' ' ' VAL . 5.5 mt -78.09 147.64 34.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 64.8 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 73' ' ' LEU . 5.6 mp 55.49 -177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 65.99 83.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.85 -28.46 13.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.428 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.489 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptp . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.66 HD22 ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -74.48 153.2 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 15' ' ' ILE . 4.2 pt -141.82 -175.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.92 119.15 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' A' ' 15' ' ' ILE . 11.9 p -96.11 119.24 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.23 107.37 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 145.7 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.777 HD21 HG13 ' A' ' 70' ' ' VAL . 1.7 mp -58.11 -19.94 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.38 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -6.42 58.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 66.2 1.39 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -167.97 121.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.89 115.96 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.42 145.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.99 138.89 31.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.589 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 179.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.05 121.32 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.442 HG21 HG12 ' A' ' 26' ' ' ILE . 2.8 pp -144.24 154.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -91.36 147.17 34.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.8 Cg_exo -53.77 -27.47 43.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.485 2.123 . . . . 0.0 112.268 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.8 -24.24 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.96 112.8 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mmmt -60.77 160.7 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.32 -42.69 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -34.4 30.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -72.94 -39.85 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 mt -63.38 -48.1 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.18 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.07 -49.57 71.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.784 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -57.64 -41.48 81.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -64.61 -43.99 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.4 t -60.98 -45.0 99.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.09 -54.49 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.48 -27.45 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -56.43 4.53 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.76 -43.38 7.91 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.71 33.01 1.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.3 mm -114.06 128.79 25.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.555 0.217 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 141.16 50.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.326 2.017 . . . . 0.0 112.149 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.28 -49.52 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.482 2.121 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.67 -29.63 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 30.9 mt-30 -90.97 -24.21 20.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 69' ' ' LEU . 29.5 mt-30 -70.48 112.51 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -98.67 107.78 20.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 11.4 tp -88.65 133.47 34.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.1 mt -138.1 149.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.735 ' CD1' HD23 ' A' ' 67' ' ' LEU . 44.0 t80 -152.29 120.76 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 25.86 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.75 -9.13 72.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.811 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -96.36 114.86 26.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.84 121.33 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.595 ' HE3' HD11 ' A' ' 61' ' ' ILE . 29.4 mtp -72.0 110.03 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -81.7 142.94 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.51 -25.26 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.34 -22.81 57.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.453 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -88.92 -178.89 5.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 22' ' ' LYS . 14.7 p -149.06 162.91 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.57 -50.56 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.498 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.46 62.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.458 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.61 -32.8 70.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -96.97 21.26 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.25 35.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.903 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 50' ' ' MET . 30.1 mt -71.18 104.64 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.27 166.75 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.59 114.14 4.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.08 -9.8 22.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.752 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.21 133.37 52.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.365 . . . . 0.0 110.992 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.41 96.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD23 ' CD1' ' A' ' 45' ' ' TYR . 5.2 mt -96.29 140.86 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.785 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -91.57 166.47 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.0 tt -151.05 105.11 3.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.903 0.382 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 8' ' ' LEU . 23.3 t -97.83 140.41 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.014 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' N ' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -78.92 137.95 37.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . . . -78.99 118.79 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mp -80.49 85.89 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 117.77 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.26 -66.81 0.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.432 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.504 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -75.48 152.72 37.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.009 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.863 HD13 HD12 ' A' ' 67' ' ' LEU . 2.5 pp -142.27 -174.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 119.31 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.55 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.62 121.74 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -81.85 125.02 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 156.77 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.0 -21.56 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -82.51 -33.88 28.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 111.011 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.89 -12.37 4.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.846 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -176.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -149.16 119.05 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' OE2' ' A' ' 34' ' ' GLU . 21.7 mt -96.45 146.17 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -143.65 169.98 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -149.55 117.05 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.16 166.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -91.28 155.88 44.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 43.0 Cg_endo -67.68 -20.95 45.99 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.553 2.168 . . . . 0.0 112.426 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -82.57 -24.29 34.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.77 115.21 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 55' ' ' THR . 2.9 mttp -61.09 164.02 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.883 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.3 t -50.01 -45.03 22.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -32.53 24.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -72.92 -41.01 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.233 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 23' ' ' VAL . 12.4 mt -63.26 -48.32 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.316 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.92 -49.36 71.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.756 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.62 -37.86 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -64.77 -46.53 81.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.8 t -60.77 -46.49 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.43 -54.09 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.61 -27.47 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.354 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CE ' HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -77.85 -56.4 4.53 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.635 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' OE2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.54 -43.56 7.55 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.476 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.92 -13.19 6.43 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.651 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.25 115.87 38.9 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.618 0.209 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.34 151.42 17.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.404 2.069 . . . . 0.0 112.261 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 -49.24 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.517 2.145 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.8 -28.03 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.56 -25.43 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.726 ' OE1' HD11 ' A' ' 69' ' ' LEU . 35.5 mt-30 -70.89 158.38 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.945 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.29 102.01 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.633 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.676 HD23 ' SD ' ' A' ' 50' ' ' MET . 6.3 tp -88.25 133.77 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.19 145.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 67' ' ' LEU . 53.9 t80 -152.18 133.32 14.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . 0.3 OUTLIER 61.2 19.13 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.4 -19.79 45.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.619 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.22 130.57 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.92 135.33 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.676 ' SD ' HD23 ' A' ' 43' ' ' LEU . 8.1 mtp -71.93 120.28 17.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.85 35.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.17 -36.86 52.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.451 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.96 -8.84 57.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.655 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -89.13 -176.98 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.7 p -149.83 156.46 41.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.1 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.534 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.13 -43.8 61.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.323 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.14 -32.31 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.0 m-85 -98.23 19.19 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.49 34.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.886 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 67' ' ' LEU . 44.0 mt -71.22 98.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.85 172.66 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 1' ' ' MET . . . -55.29 125.15 35.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.591 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.37 60.49 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.672 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.43 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.4 m -56.24 135.87 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 t -93.08 98.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -95.7 138.56 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -92.06 152.55 19.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.1 tt -151.16 102.74 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.24 146.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 72' ' ' ALA . 8.3 tt -79.59 152.18 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.411 ' N ' HD23 ' A' ' 71' ' ' LEU . . . -159.36 132.49 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.37 151.97 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -159.92 95.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.59 -124.18 8.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.4 153.06 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 1.044 HD13 HD12 ' A' ' 67' ' ' LEU . 2.8 pp -140.82 155.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.68 117.6 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 15' ' ' ILE . 40.4 t -95.01 121.46 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -81.52 120.88 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.26 139.18 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 71' ' ' LEU . 12.0 tp -58.82 -15.84 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.592 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 m -79.83 -35.25 38.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.36 63.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -177.71 3.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 0.0 110.75 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -148.67 105.04 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.15 136.84 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.52 141.45 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.1 143.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.75 111.33 22.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.6 pp -144.04 139.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -91.44 153.33 44.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.4 Cg_exo -53.19 -23.1 21.71 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.441 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 p -82.13 -22.43 36.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.51 112.34 3.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 55' ' ' THR . 11.9 mtmt -60.93 155.02 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.14 -43.55 21.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.2 -33.21 26.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.21 -41.61 63.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.386 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.02 -47.07 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.298 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -54.34 44.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.87 -33.2 68.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -52.15 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 15' ' ' ILE . 33.2 t -60.89 -44.08 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.44 -56.22 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -53.93 -27.36 30.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.355 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HE2' HG23 ' A' ' 15' ' ' ILE . 17.1 mmtm -78.08 -56.3 4.59 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.83 -43.45 7.85 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.37 -0.51 7.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 71' ' ' LEU . 23.9 mm -77.41 124.72 86.86 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.717 0.258 . . . . 0.0 111.186 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.76 141.27 65.72 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.43 2.087 . . . . 0.0 112.13 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.02 -50.53 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.43 2.087 . . . . 0.0 112.354 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.77 -27.68 7.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -90.49 -26.02 19.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 69' ' ' LEU . 36.5 mt-30 -70.44 148.19 48.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.09 111.84 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 67' ' ' LEU . 14.1 tp -88.73 110.25 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.034 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mm -100.23 144.24 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 50.2 t80 -151.78 124.16 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 22.83 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.15 -10.72 67.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.882 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 120.78 37.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 118.5 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 43' ' ' LEU . 62.2 mtp -71.82 111.43 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.67 144.21 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -25.53 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.528 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.65 -22.08 57.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.546 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -88.81 -175.81 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -149.34 158.46 44.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.67 12.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.63 -43.17 62.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.353 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.88 -31.38 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 34.8 m-85 -98.36 22.08 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.04 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.868 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HD21 ' A' ' 67' ' ' LEU . 27.5 mt -70.36 104.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.32 167.53 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.63 120.93 18.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.64 -7.72 46.28 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.779 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.35 137.01 53.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.338 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.06 105.92 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.044 HD12 HD13 ' A' ' 3' ' ' ILE . 4.2 mt -96.09 130.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -91.94 101.02 13.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 41' ' ' GLN . 6.1 tp -86.52 104.12 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 8' ' ' LEU . 12.2 p -97.74 134.59 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.71 139.43 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.82 100.02 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pp -159.47 37.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.95 118.44 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.73 156.07 28.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.593 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.802 0.334 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.51 151.5 37.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 15' ' ' ILE . 18.4 pt -142.28 -177.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -139.93 117.64 11.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.945 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.6 t -96.61 115.83 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.224 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -81.81 117.75 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.3 tt -57.73 -19.69 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.443 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -81.48 -29.25 33.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.661 0.267 . . . . 0.0 111.133 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.57 -15.41 7.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.824 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -175.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -147.82 122.85 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mt -95.93 131.29 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.84 134.52 33.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.945 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.08 176.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -145.66 114.96 7.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.97 166.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -91.22 158.16 41.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.78 -21.18 51.49 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -82.39 -21.85 35.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.61 116.02 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 55' ' ' THR . 8.4 mttp -60.97 159.57 11.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.8 t -49.67 -44.79 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.314 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.18 -31.59 20.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -46.36 45.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' VAL . 13.5 mt -62.88 -44.3 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.271 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -55.79 -54.7 41.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.978 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.82 -32.08 67.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.04 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.5 t -61.23 -43.17 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.69 -55.89 25.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.2 -27.42 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -77.89 -56.32 4.6 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -95.55 -43.5 7.92 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 -23.85 4.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.643 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.763 ' CG2' HD11 ' A' ' 71' ' ' LEU . 42.0 mt -60.11 136.4 91.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 36' ' ' ILE . 37.4 Cg_endo -65.94 141.85 66.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 25.4 Cg_exo -62.77 -45.8 12.7 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.497 2.131 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -50.6 -30.75 14.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.279 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.75 -23.27 20.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.0 mt-30 -70.75 110.96 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -98.9 113.29 25.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.683 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.819 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -88.08 137.88 31.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 43' ' ' LEU . 15.5 mm -138.09 141.43 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -152.31 120.09 6.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m 59.91 23.99 13.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.48 -12.26 65.59 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.724 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -96.32 118.27 32.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.792 0.33 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.88 127.95 33.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.54 ' HE3' HD11 ' A' ' 61' ' ' ILE . 16.0 mtp -72.01 111.74 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.5 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.75 -25.37 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.546 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.42 -22.91 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.392 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -88.79 -171.26 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.385 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.517 HG22 ' CG ' ' A' ' 22' ' ' LYS . 14.1 p -149.7 162.89 39.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.16 -50.81 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.514 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -41.27 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.317 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -32.29 69.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -97.77 24.6 6.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.76 38.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.753 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 56' ' ' ALA . 33.9 mt -70.79 112.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.61 166.25 12.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.08 118.79 13.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.67 -0.12 56.61 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.828 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.509 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.2 m -56.64 136.92 54.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.849 0.356 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 t -93.6 106.01 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 3' ' ' ILE . 7.1 mt -95.62 143.63 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.0 158.83 16.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.1 tt -151.2 136.76 17.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 8' ' ' LEU . 21.2 t -145.41 139.97 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.763 HD11 ' CG2' ' A' ' 36' ' ' ILE . 3.8 mm? -78.21 132.38 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.7 77.57 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -80.62 -46.56 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -159.97 143.15 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.06 157.32 25.49 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.538 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 15' ' ' ILE . 5.0 tp -75.32 148.9 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.789 HD11 HD12 ' A' ' 15' ' ' ILE . 2.5 pp -142.52 -176.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -139.64 113.23 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.53 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.28 117.92 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 142.22 35.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD22 HG23 ' A' ' 70' ' ' VAL . 23.9 tp -58.45 -17.95 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -80.9 -34.46 33.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.795 0.331 . . . . 0.0 111.018 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.53 68.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.73 134.4 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -91.68 109.54 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' HB ' ' CG1' ' A' ' 5' ' ' VAL . 25.6 mt -96.38 132.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.7 140.61 29.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 176.92 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.93 111.96 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.617 HD13 ' OD1' ' A' ' 21' ' ' ASP . 2.9 pp -144.73 168.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.85 138.04 26.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 -22.15 20.79 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.747 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -82.64 -15.74 50.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.603 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.617 ' OD1' HD13 ' A' ' 17' ' ' ILE . 1.2 p-10 -64.69 125.33 24.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.889 0.376 . . . . 0.0 111.064 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.3 mttp -61.6 154.25 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 54' ' ' LYS . 21.7 t -49.16 -46.73 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.18 -31.87 21.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -73.3 -42.12 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.49 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 23' ' ' VAL . 42.2 mt -62.72 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.164 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -55.18 -48.48 73.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.729 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.1 -35.81 71.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -44.83 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.2 t -60.57 -43.49 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -55.13 -55.56 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.424 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -53.48 -27.4 24.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -78.21 -56.33 4.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' OE2' HD12 ' A' ' 36' ' ' ILE . 12.5 pt-20 -96.48 -43.47 7.61 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.16 -26.55 3.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.622 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.485 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -60.78 137.04 93.24 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.603 0.24 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 36' ' ' ILE . 23.1 Cg_endo -61.34 147.8 94.6 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.196 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.91 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.464 2.109 . . . . 0.0 112.437 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -50.7 -28.46 9.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.7 -25.2 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 69' ' ' LEU . 41.0 mt-30 -70.37 150.61 46.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -140.46 115.88 10.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 67' ' ' LEU . 8.8 tp -88.46 113.46 24.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.95 134.38 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -152.46 135.68 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 29.88 18.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.13 27.31 72.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.403 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.14 127.36 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.794 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.55 125.44 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.5 mmm -71.82 120.47 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.46 138.23 35.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -51.79 -25.88 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.485 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.93 -22.05 56.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.601 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 mmtt -88.72 -177.4 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -148.83 158.41 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.656 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.42 -44.92 12.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.434 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.06 61.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.252 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.769 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 59.1 m-85 -98.4 22.36 9.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.05 37.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.811 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' ALA . 46.4 mt -70.29 103.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mp -91.61 168.27 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.33 120.55 18.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.563 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.23 -9.48 42.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.503 ' CB ' HG23 ' A' ' 61' ' ' ILE . 50.2 m -56.21 134.58 53.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.53 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 mt -95.8 143.16 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.738 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -92.5 169.23 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 41' ' ' GLN . 5.6 tp -151.19 140.13 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.678 HG23 HD22 ' A' ' 8' ' ' LEU . 12.1 p -145.51 141.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.27 148.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.88 103.26 8.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -80.52 152.28 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 63.11 109.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.96 -136.18 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 152.24 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 67' ' ' LEU . 2.6 pp -141.29 -174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 3' ' ' ILE . 15.1 mtmt -139.0 114.77 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.513 ' CG1' HD11 ' A' ' 15' ' ' ILE . 12.3 p -96.03 123.48 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 148.63 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.069 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HG13 ' A' ' 70' ' ' VAL . 7.4 tt -57.64 -19.69 28.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.367 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 m -81.24 -30.07 34.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.752 0.311 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.38 70.01 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 129.94 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.54 110.7 21.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -96.38 138.34 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 131.35 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.26 147.43 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -91.04 127.02 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.43 -176.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -148.35 148.71 29.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 54.1 Cg_exo -52.18 -24.68 21.08 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.573 2.182 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -82.79 -28.32 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.87 105.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mttp -60.97 166.47 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.924 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -49.66 -47.6 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.257 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -32.09 22.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -42.19 63.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.7 mt -62.86 -48.27 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.276 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -55.08 -48.36 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.752 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.6 -38.7 75.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.62 -44.17 91.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.735 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.5 t -60.97 -45.26 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 1.3 tt0 -54.92 -55.1 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.92 -27.33 30.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.268 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -56.4 4.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -95.7 -43.49 7.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.77 -26.28 4.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.586 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.4 mt -60.26 136.51 91.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.568 0.223 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.8 Cg_endo -63.45 148.26 92.75 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.29 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.29 -44.99 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -29.39 11.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -90.79 -24.16 20.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' OE1' HG11 ' A' ' 30' ' ' VAL . 35.1 mt-30 -70.01 162.41 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.674 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -140.97 116.44 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD23 HG13 ' A' ' 23' ' ' VAL . 17.0 tp -89.02 136.25 33.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 ' HD3' ' A' ' 42' ' ' ARG . 16.0 mm -137.63 144.98 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' HD23 ' A' ' 67' ' ' LEU . 16.8 t80 -152.43 116.23 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.84 26.78 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.13 -8.06 75.35 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.783 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 115.51 27.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.526 ' HG3' HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -64.91 117.1 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.439 ' CE ' ' CD2' ' A' ' 59' ' ' TYR . 30.0 mtp -72.13 108.27 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.77 146.94 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.55 -25.86 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.81 -23.14 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.483 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -88.89 177.29 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' CG ' ' A' ' 22' ' ' LYS . 36.2 p -149.68 162.29 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.45 -45.49 13.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.444 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.86 62.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -35.61 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.751 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 73.9 m-85 -98.05 24.76 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.84 34.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.979 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.839 HD13 HD21 ' A' ' 67' ' ' LEU . 15.9 mt -71.62 141.73 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -148.12 -174.08 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 121.1 21.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.615 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.97 -14.36 55.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.805 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.3 m -56.78 122.49 12.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.1 p -92.29 99.73 10.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 61' ' ' ILE . 2.2 mt -95.56 143.82 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' HD12 ' A' ' 43' ' ' LEU . 83.9 m-70 -91.82 164.15 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -151.26 131.7 13.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.868 HG13 HD12 ' A' ' 8' ' ' LEU . 21.9 t -145.27 158.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -78.81 134.36 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.12 144.53 34.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.82 -43.22 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -176.1 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.54 61.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.608 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 15' ' ' ILE . 4.5 mm? -75.41 141.96 43.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pt -142.21 -179.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -140.35 117.27 11.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 15' ' ' ILE . 22.0 t -96.31 120.65 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -82.35 113.13 19.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 147.59 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 70' ' ' VAL . 14.1 tp -57.75 -19.79 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -81.59 -30.63 32.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.991 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.2 67.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.601 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 131.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -90.82 119.92 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mt -96.05 131.18 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.12 130.81 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.925 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.31 179.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -145.71 122.32 11.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 HG12 ' A' ' 26' ' ' ILE . 2.7 pp -144.27 153.21 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.33 150.21 41.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . 53.3 Cg_exo -52.45 -24.4 21.75 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.62 2.214 . . . . 0.0 112.289 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.5 p -82.7 -25.39 33.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -64.59 106.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HG2' HG22 ' A' ' 55' ' ' THR . 12.5 mttp -60.92 159.64 11.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -49.95 -40.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.363 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.24 -36.89 44.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.63 -41.68 65.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.9 mt -63.19 -47.85 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -48.98 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.759 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.67 -41.59 81.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -42.51 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 26' ' ' ILE . 27.5 t -61.12 -45.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.23 -54.73 39.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.9 -27.34 29.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -77.06 -56.33 4.67 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.32 -43.62 7.95 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.1 4.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.579 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.447 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -62.07 136.39 95.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.624 0.249 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 36' ' ' ILE . 35.3 Cg_endo -64.86 150.29 88.35 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.456 2.104 . . . . 0.0 112.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.33 -43.7 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.478 2.119 . . . . 0.0 112.399 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -50.74 -31.15 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.88 -22.55 20.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.006 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.1 mt-30 -69.94 145.84 51.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.13 106.72 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' ILE . 2.9 tp -89.06 149.45 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.826 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.1 mm -138.08 140.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.742 ' CD1' HD23 ' A' ' 67' ' ' LEU . 66.9 t80 -152.26 119.13 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.808 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m 61.57 23.87 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.41 -7.2 77.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.78 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -97.07 118.27 33.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.02 130.01 41.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 43' ' ' LEU . 82.0 mmm -72.02 95.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -82.01 140.83 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -51.4 -25.88 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.75 -23.69 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -89.08 -176.77 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.49 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.0 p -149.73 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.44 -47.05 13.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -51.1 -43.53 61.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.388 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.411 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 90.6 m-85 -97.35 19.27 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 35.95 37.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.89 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.591 HG23 ' CB ' ' A' ' 65' ' ' SER . 39.5 mt -70.42 104.94 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -92.68 171.7 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.6 101.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.17 -9.65 7.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.834 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.47 128.56 36.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.016 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.18 98.88 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 45' ' ' TYR . 4.2 mt -95.69 142.41 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 35.9 m170 -92.04 167.69 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.2 tt -151.22 130.56 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.931 HG13 HD13 ' A' ' 8' ' ' LEU . 18.2 t -145.75 160.83 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.987 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' HG12 ' A' ' 70' ' ' VAL . 5.5 tp -77.84 145.11 36.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.68 172.13 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -80.69 100.2 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -80.03 108.82 13.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.88 -56.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.511 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.871 0.367 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -75.6 153.07 37.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.447 HD12 HD12 ' A' ' 67' ' ' LEU . 18.8 pt -141.81 -179.05 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -141.17 108.9 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.4 t -96.57 117.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -81.89 121.82 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.27 157.39 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 7' ' ' THR . 1.1 pt? -56.76 -22.62 37.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -83.11 -30.71 27.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.951 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.82 -13.24 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.845 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -71.05 131.66 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 115.05 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.3 118.66 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 134.79 33.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.51 -174.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.99 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -149.5 118.66 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.855 HD13 HG12 ' A' ' 26' ' ' ILE . 1.7 pt -144.16 155.49 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.43 152.47 43.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.32 -23.27 23.08 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.568 2.179 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 m -82.27 -21.41 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.6 108.01 1.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mtmm -60.77 161.83 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.896 ' HA ' HD12 ' A' ' 26' ' ' ILE . 28.9 t -50.4 -43.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -51.14 -34.38 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -72.95 -41.27 64.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 23' ' ' VAL . 10.8 mt -63.04 -47.99 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.254 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -49.33 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.69 -37.05 72.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.662 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 26' ' ' ILE . 32.6 t -62.55 -47.49 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -57.44 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.76 -27.13 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.358 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -77.43 -56.32 4.64 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -43.57 8.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.18 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.8 mt -137.57 140.04 28.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 36' ' ' ILE . 52.9 Cg_exo -52.15 133.31 46.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.95 -41.23 2.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.108 . . . . 0.0 112.183 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -25.41 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -89.05 -25.84 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.211 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HB3' HD11 ' A' ' 69' ' ' LEU . 75.4 mt-30 -69.14 158.71 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -141.14 116.1 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 67' ' ' LEU . 14.2 tp -89.51 109.03 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.515 HD11 ' HD2' ' A' ' 42' ' ' ARG . 26.9 mm -100.3 130.33 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.687 ' CD1' HD23 ' A' ' 67' ' ' LEU . 10.6 t80 -152.32 132.06 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.1 36.12 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 28.07 64.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -142.13 125.01 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -64.78 122.13 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.562 ' SD ' HD23 ' A' ' 43' ' ' LEU . 63.6 mtp -71.88 117.36 13.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.76 143.01 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -51.92 -25.18 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.585 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.32 -21.15 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.553 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -88.52 -178.02 5.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 22' ' ' LYS . 26.0 p -149.23 161.9 41.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.965 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.59 -46.43 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.03 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -32.38 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.1 m-85 -98.62 21.69 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.969 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.41 35.09 0.05 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.732 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.3 mt -70.61 100.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.37 171.03 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.71 113.87 4.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.78 -4.77 29.17 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.582 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.6 m -56.67 137.04 54.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 t -93.22 106.57 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.687 HD23 ' CD1' ' A' ' 45' ' ' TYR . 13.9 mt -95.93 129.32 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -91.79 106.0 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 41' ' ' GLN . 7.8 tp -85.97 138.05 32.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -75.3 148.53 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 67' ' ' LEU . 26.5 pt -141.92 149.71 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 114.59 28.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.723 ' HB ' HD11 ' A' ' 15' ' ' ILE . 12.1 p -96.15 121.26 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -81.24 120.9 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 155.41 28.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -20.7 31.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.302 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -34.11 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.008 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.79 -15.92 4.82 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -173.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -149.22 117.35 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' HG12 ' A' ' 5' ' ' VAL . 32.0 mt -96.7 145.63 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.69 142.49 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.65 176.42 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -149.67 117.29 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.803 HD13 ' CD1' ' A' ' 26' ' ' ILE . 1.7 pt -144.3 150.95 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.45 151.42 42.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -52.76 -25.27 26.23 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.63 2.22 . . . . 0.0 112.319 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -82.59 -23.34 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.93 109.91 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 55' ' ' THR . 4.4 mttp -61.0 160.37 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.11 -43.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -51.16 -33.56 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -73.03 -41.38 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.409 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 17' ' ' ILE . 39.9 mt -63.23 -47.82 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -49.25 72.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -57.49 -37.93 73.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -64.38 -42.46 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' OE1' ' A' ' 41' ' ' GLN . 18.2 t -60.72 -45.43 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.668 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 3.3 tt0 -55.75 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.33 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.353 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.25 -56.28 4.69 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' HG12 ' A' ' 30' ' ' VAL . 3.0 pm0 -95.94 -43.36 7.85 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.83 -28.18 3.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HD2' ' A' ' 37' ' ' PRO . 41.9 mt -60.74 136.86 93.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.525 0.202 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.3 Cg_endo -60.31 143.78 99.5 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.73 -41.0 2.42 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.146 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -50.66 -28.37 8.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -90.8 -26.17 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG11 ' A' ' 30' ' ' VAL . 48.6 mt-30 -71.24 149.36 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HB3' HG13 ' A' ' 70' ' ' VAL . 5.8 tpt180 -141.76 120.47 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 6.9 tp -89.07 146.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 43' ' ' LEU . 12.6 mm -138.04 142.88 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -152.04 113.22 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 m 61.04 29.73 19.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.764 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -1.0 86.7 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.757 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -96.82 111.84 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.29 127.52 32.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.566 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.94 104.09 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.73 137.57 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -51.61 -26.11 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 -24.26 56.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.42 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -89.1 -178.8 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 22' ' ' LYS . 16.0 p -149.26 162.82 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.74 -49.32 14.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.414 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.18 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -31.88 70.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 19.9 m-85 -97.77 19.41 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.13 34.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.844 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 65' ' ' SER . 32.7 mt -70.9 101.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.31 167.8 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.95 115.41 5.55 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.46 -10.53 21.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.654 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.581 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.6 m -56.08 136.63 52.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.06 106.0 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 43' ' ' LEU . 13.8 mt -95.81 127.57 41.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -91.67 108.58 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.2 tp -86.44 139.78 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 42' ' ' ARG . 14.9 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.855 0.359 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.6 pp -75.26 147.76 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 67' ' ' LEU . 2.3 pp -142.5 -178.33 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -140.34 111.39 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.78 112.46 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -82.0 122.74 28.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.31 144.1 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -57.54 -19.15 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.46 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 m -81.24 -35.21 31.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.02 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.74 66.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.5 128.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.44 117.42 29.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 15' ' ' ILE . 22.2 mt -95.94 141.15 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.813 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.5 mt-10 -88.75 125.17 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -140.79 170.2 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -145.27 122.93 11.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.451 HG22 HH21 ' A' ' 29' ' ' ARG . 2.7 pp -144.39 152.31 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.34 146.4 33.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.659 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.6 Cg_exo -53.25 -23.77 24.37 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.53 2.153 . . . . 0.0 112.427 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t -82.47 -26.47 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.043 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.63 116.16 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' ' 55' ' ' THR . 6.7 mttt -60.8 160.5 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -50.23 -43.68 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.19 -33.96 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.0 -41.21 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.1 mt -62.64 -48.31 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.159 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -55.36 -48.17 74.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.701 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.72 -36.72 72.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.451 HH21 HG22 ' A' ' 17' ' ' ILE . 3.4 tpp180 -63.97 -42.8 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.0 t -61.89 -47.2 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.76 -57.6 10.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -53.43 -27.25 23.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.349 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -56.42 4.52 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 -43.42 7.65 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.38 44.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.4 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.413 HG23 ' HD2' ' A' ' 37' ' ' PRO . 33.1 mt -124.85 136.14 27.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 36' ' ' ILE . 20.3 Cg_endo -60.55 124.52 15.24 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.513 2.142 . . . . 0.0 112.187 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.42 -42.49 65.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.459 2.106 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.64 -30.43 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -90.79 -23.77 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.985 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.66 151.15 45.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.25 113.59 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 44' ' ' ILE . 12.1 tp -88.8 146.95 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.6 mm -138.05 144.9 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.482 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.1 t80 -152.17 119.3 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 24.82 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.08 -9.74 71.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.13 121.33 37.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.74 126.77 28.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 43' ' ' LEU . 3.9 mtp -71.86 107.14 4.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -81.71 139.49 34.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -51.57 -26.01 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.507 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.83 -22.72 56.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.476 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -88.8 -177.63 5.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 22' ' ' LYS . 17.8 p -149.33 161.13 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.32 -47.91 13.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.432 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.23 -45.02 61.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.03 -31.62 70.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.716 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 35.2 m-85 -98.47 22.08 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.674 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.52 35.35 0.06 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.794 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG23 ' CB ' ' A' ' 65' ' ' SER . 33.2 mt -70.93 96.39 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -91.49 175.14 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 103.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.93 -7.92 8.71 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.767 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.551 ' CB ' HG23 ' A' ' 61' ' ' ILE . 27.2 m -56.19 137.51 51.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.833 0.349 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.95 106.82 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 3' ' ' ILE . 12.4 mt -95.53 126.71 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -91.58 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.53 143.34 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tpp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -75.36 146.95 40.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.921 HD13 HD12 ' A' ' 67' ' ' LEU . 2.0 pp -142.02 -176.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -140.52 118.26 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.4 p -95.71 119.49 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.058 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.63 123.25 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 153.58 29.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.29 -21.25 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.0 m -82.43 -32.04 29.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.031 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -13.59 4.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.829 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 179.12 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.13 115.53 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -96.2 127.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.77 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.29 -179.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -149.18 115.27 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.21 172.39 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.43 144.36 29.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.79 -21.26 31.88 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.463 2.109 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.1 p -82.47 -20.54 36.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.353 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.51 116.93 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.3 mttp -61.41 160.43 10.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 26' ' ' ILE . 22.4 t -50.18 -44.3 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.0 -31.98 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -45.35 53.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.843 HD12 ' HA ' ' A' ' 23' ' ' VAL . 6.7 mt -62.57 -47.02 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.228 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -48.78 73.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.93 -36.7 72.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -63.87 -41.75 97.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.562 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.7 t -61.39 -46.44 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.54 -56.67 16.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -52.93 -27.42 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.251 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE3' HG23 ' A' ' 15' ' ' ILE . 17.7 mmtt -78.81 -56.29 4.52 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -97.24 -43.38 7.37 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 32.6 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.416 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.8 mt -110.98 136.25 20.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.561 0.219 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 36' ' ' ILE . 21.8 Cg_endo -61.01 117.88 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.579 2.186 . . . . 0.0 112.215 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.41 -40.53 70.92 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.088 . . . . 0.0 112.299 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.67 -28.62 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -91.0 -25.21 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.459 ' CB ' HD11 ' A' ' 69' ' ' LEU . 39.6 mt-30 -70.59 144.38 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.503 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -139.71 113.25 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 67' ' ' LEU . 9.3 tp -88.52 115.54 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.503 HD11 ' HD3' ' A' ' 42' ' ' ARG . 21.3 mm -101.48 142.89 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.68 124.47 8.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m 61.48 20.36 11.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.21 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.46 -14.78 60.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.2 125.47 40.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.392 . . . . 0.0 110.968 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.97 125.39 24.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.659 ' HE3' HD11 ' A' ' 61' ' ' ILE . 85.6 mtp -71.77 115.04 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -81.78 140.28 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.2 -26.36 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.552 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -75.74 -19.37 59.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.608 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.37 -176.12 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 22' ' ' LYS . 11.3 p -148.81 159.56 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.71 -48.54 15.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.08 -44.06 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.92 -30.72 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 33.7 m-85 -97.9 21.81 10.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.036 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.89 37.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.858 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.659 HD11 ' HE3' ' A' ' 50' ' ' MET . 31.6 mt -70.44 108.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -91.61 168.14 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.71 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -2.01 28.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.563 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -56.98 136.74 56.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.41 106.9 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 43' ' ' LEU . 11.1 mt -95.95 131.08 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -92.08 105.91 18.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 41' ' ' GLN . 25.9 tp -86.09 137.92 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' HA ' HD23 ' A' ' 8' ' ' LEU . 12.0 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.27 153.06 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.454 HD12 HD12 ' A' ' 67' ' ' LEU . 2.3 pt -141.41 145.28 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.64 114.2 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 15' ' ' ILE . 26.0 t -95.01 119.95 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -81.79 125.35 30.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 152.51 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 70' ' ' VAL . 7.7 tt -57.42 -20.32 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.401 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -29.18 32.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.56 -12.54 5.69 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.886 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -179.61 2.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -149.01 103.91 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -97.04 130.09 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.6 143.69 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.758 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.35 141.98 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 111.233 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.72 110.1 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.43 149.19 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.54 146.76 33.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.1 Cg_exo -53.28 -24.03 25.53 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.559 2.172 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -82.68 -20.44 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.67 116.73 6.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 mttm -61.03 160.22 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 t -50.21 -44.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.275 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.24 -32.55 24.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -73.34 -42.89 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 30' ' ' VAL . 49.4 mt -63.24 -47.49 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.292 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -50.6 68.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.712 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.98 -35.41 71.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.514 ' HD2' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.57 -45.6 86.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.9 t -61.12 -46.85 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.07 -54.86 37.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.63 -27.26 26.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -56.38 4.62 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.84 -43.5 7.82 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.55 -26.75 4.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.591 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' HD2' ' A' ' 37' ' ' PRO . 47.2 mt -59.94 137.04 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.507 0.194 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 36' ' ' ILE . 29.4 Cg_endo -63.17 142.27 86.07 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.456 2.104 . . . . 0.0 112.144 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -39.22 4.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.509 2.14 . . . . 0.0 112.403 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -50.61 -29.29 10.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.78 -25.51 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HD11 ' A' ' 69' ' ' LEU . 44.3 mt-30 -72.34 154.3 41.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -139.32 116.37 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' SD ' ' A' ' 50' ' ' MET . 16.4 tp -88.17 107.08 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 42' ' ' ARG . 23.2 mm -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.688 ' CD1' HD23 ' A' ' 67' ' ' LEU . 52.1 t80 -151.95 119.74 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 m 60.68 23.15 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.74 66.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.845 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -96.23 116.47 29.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 121.16 14.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.44 ' CE ' ' CD1' ' A' ' 59' ' ' TYR . 41.3 mtp -71.85 105.11 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -81.73 147.83 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -25.62 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.531 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.35 -25.59 57.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -89.16 -178.04 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 22' ' ' LYS . 16.4 p -149.73 160.35 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.5 -48.18 14.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.517 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -39.24 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.07 -34.03 71.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' CE ' ' A' ' 50' ' ' MET . 42.9 m-85 -97.67 23.5 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.59 38.48 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 65' ' ' SER . 23.9 mt -70.69 111.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -91.22 166.83 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.86 2.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.42 1.19 33.02 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.817 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.586 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -56.73 144.25 33.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.932 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.81 108.14 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 45' ' ' TYR . 14.2 mt -96.46 174.21 6.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -142.99 106.19 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 70' ' ' VAL . 1.6 tt -85.88 153.14 22.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.997 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 8' ' ' LEU . 22.0 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -75.53 153.09 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 67' ' ' LEU . 2.2 pp -140.92 -176.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -141.14 114.98 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 69' ' ' LEU . 11.7 p -96.27 127.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 124.04 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 138.57 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -57.8 -17.42 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.385 179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -80.7 -36.25 32.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.59 64.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.87 -173.36 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.67 112.27 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.98 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.5 mt -96.97 144.9 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.43 137.85 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.769 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -143.49 141.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 111.15 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.87 119.18 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.608 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.42 138.32 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -91.86 148.71 37.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 -29.5 58.44 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -83.05 -21.16 33.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.356 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.94 110.58 2.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.2 mtmp? -61.01 164.89 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.88 -46.11 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.09 -32.47 22.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -73.65 -44.98 55.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.6 mt -63.35 -45.9 96.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.279 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -54.57 41.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.953 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.04 -32.69 68.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -64.88 -46.0 83.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.612 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 t -60.88 -44.07 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.61 -55.83 25.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.06 -27.5 32.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -78.37 -56.31 4.55 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -95.67 -43.56 7.86 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -24.94 4.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 37' ' ' PRO . 39.2 mt -60.45 136.24 91.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.569 0.223 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 39.5 Cg_endo -66.96 138.04 46.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.496 2.131 . . . . 0.0 112.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -58.25 -45.05 33.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.396 2.064 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.69 -28.93 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.6 -24.97 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.44 150.75 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HD3' HD11 ' A' ' 44' ' ' ILE . 4.8 ttm180 -141.29 113.86 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.4 tp -88.87 143.8 26.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.777 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.3 mm -138.03 142.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -152.11 122.66 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m 61.15 21.83 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.41 -14.25 61.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.754 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -96.37 122.67 39.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.13 136.05 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.715 ' SD ' HD23 ' A' ' 43' ' ' LEU . 2.0 mtp -71.94 119.28 15.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -81.76 133.71 35.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.79 -35.62 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.416 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.99 -13.51 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.691 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -88.83 -177.32 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.568 HG22 ' CG ' ' A' ' 22' ' ' LYS . 25.5 p -149.3 160.93 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.91 -45.56 15.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.409 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.36 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.93 -32.8 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 12.9 m-85 -98.6 21.62 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.68 34.6 0.06 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.774 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.613 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.0 mt -71.06 99.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -91.13 170.67 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.35 116.23 6.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 -3.83 34.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.33 138.01 51.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 106.29 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 3' ' ' ILE . 27.4 mt -96.58 127.79 42.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -91.11 112.72 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.017 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -86.67 144.0 27.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.758 0.313 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.49 143.82 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.608 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.0 pt -142.13 149.63 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -105.63 118.45 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -96.21 117.51 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 1.6 tttp -81.81 123.25 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 156.66 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.087 HD13 HG13 ' A' ' 70' ' ' VAL . 60.1 tp -57.03 -21.46 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -29.63 30.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.047 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.34 -9.66 6.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 179.88 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.02 111.85 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.4 mt -96.33 130.63 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -87.79 137.69 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.644 HG23 ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.37 -177.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.63 121.15 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.15 162.53 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.29 148.57 38.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.46 -21.82 25.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.621 2.214 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p -82.2 -23.85 35.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.168 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.72 107.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.6 mttp -60.9 166.26 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.9 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -50.04 -42.92 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.224 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.21 -33.43 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -45.61 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.52 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.1 mt -62.24 -46.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -49.63 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.94 -36.28 72.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -42.59 96.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' ILE . 29.6 t -61.44 -48.21 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.67 -55.69 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.15 -27.45 21.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.368 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HE2' HG23 ' A' ' 15' ' ' ILE . 5.4 mmmt -78.27 -56.34 4.53 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.48 -43.5 7.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 33.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.462 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.2 mm -111.94 135.99 21.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.529 0.204 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.33 125.24 15.85 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.472 2.114 . . . . 0.0 112.188 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.7 -46.92 28.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.506 2.137 . . . . 0.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -50.88 -27.97 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.83 -25.09 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -69.63 158.29 35.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -140.64 113.74 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.5 tp -89.44 135.74 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 43' ' ' LEU . 11.4 mm -136.82 129.51 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.9 t80 -152.5 136.48 16.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.38 31.44 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.25 72.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.422 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -142.06 125.61 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.8 122.94 18.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.592 ' SD ' HD23 ' A' ' 43' ' ' LEU . 27.7 mtp -72.3 113.54 9.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.75 143.67 31.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -51.98 -25.37 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.532 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.49 -20.69 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.583 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -88.57 179.65 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 22' ' ' LYS . 11.2 p -149.53 160.93 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.54 -50.61 12.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.488 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -42.13 61.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.424 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 39.9 m-85 -97.9 20.87 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.571 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 36.78 37.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.866 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 56' ' ' ALA . 36.3 mt -70.59 101.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 60' ' ' LYS . 3.6 mp -91.43 171.28 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.46 109.98 2.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.62 -10.9 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.747 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.576 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.6 m -56.31 133.4 52.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.35 99.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mt -95.84 135.05 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.428 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 6.7 m-70 -91.87 161.8 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -151.26 140.09 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.087 HG13 HD13 ' A' ' 8' ' ' LEU . 21.9 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.823 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.43 149.33 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 pt -142.12 -177.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -140.9 112.38 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG21 HD12 ' A' ' 15' ' ' ILE . 23.7 t -95.67 114.52 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -82.1 120.28 25.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.525 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.25 170.51 16.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.979 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt? -56.61 -26.32 55.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -83.06 -29.98 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.91 -0.79 15.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -71.24 120.98 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.09 103.94 16.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -96.07 138.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.0 130.19 35.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.55 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.02 142.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.8 126.95 37.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.574 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.6 139.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -91.37 147.43 35.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.89 -27.51 53.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.488 2.125 . . . . 0.0 112.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.7 p -83.15 -24.77 32.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 108.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 55' ' ' THR . 2.1 mttm -60.74 169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -49.66 -44.67 19.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.277 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -32.46 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -73.18 -42.27 62.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.8 mt -63.81 -47.04 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.295 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -54.6 39.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.981 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -34.15 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -47.95 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 26' ' ' ILE . 11.2 t -61.67 -43.39 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -53.57 -58.3 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.01 -27.27 30.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.131 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -77.87 -56.2 4.69 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.47 -43.56 7.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.17 -24.17 5.39 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG23 ' HD2' ' A' ' 37' ' ' PRO . 40.2 mt -59.29 136.57 88.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.533 0.206 . . . . 0.0 111.045 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.8 Cg_endo -60.45 137.72 75.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.545 2.163 . . . . 0.0 112.226 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.9 Cg_exo -61.4 -49.32 7.76 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.436 2.091 . . . . 0.0 112.464 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -50.37 -28.63 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.12 -26.16 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.828 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -72.27 109.04 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.3 ttp85 -99.74 121.42 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 tp -88.32 143.6 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 43' ' ' LEU . 7.1 mm -137.88 124.9 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD2' HD23 ' A' ' 67' ' ' LEU . 17.1 t80 -152.52 139.47 19.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.639 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m 61.71 30.9 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.79 25.36 67.51 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.317 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -142.1 131.13 23.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.616 ' CD ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.76 130.06 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.78 ' SD ' HD23 ' A' ' 43' ' ' LEU . 15.9 mtp -72.21 113.24 9.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.01 138.79 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -51.73 -25.43 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.537 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.37 -22.36 57.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.545 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 -178.34 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 22' ' ' LYS . 26.7 p -149.53 164.29 35.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.77 15.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.433 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -42.61 61.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -31.08 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 17.3 m-85 -97.79 24.64 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.04 34.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.922 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 65' ' ' SER . 17.2 mt -71.94 145.06 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 60' ' ' LYS . 4.1 mp -148.37 -178.48 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.98 119.08 12.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.34 -9.31 59.2 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.668 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.556 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.8 m -56.47 130.62 45.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.56 100.45 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CD2' ' A' ' 45' ' ' TYR . 10.9 mt -95.65 140.14 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.752 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.77 164.9 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.917 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 6.2 tp -151.15 140.23 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 3' ' ' ILE . 6.0 tt -75.3 152.98 38.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.636 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.4 pt -142.1 -178.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -141.7 112.51 7.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.0 p -96.35 122.81 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -81.85 132.83 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 157.16 27.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.95 -21.77 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.244 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.7 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.01 -2.82 6.84 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.857 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -177.15 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.787 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.45 103.91 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.25 133.83 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -88.58 132.95 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.51 141.5 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -91.02 118.92 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.2 142.02 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -91.42 158.59 40.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.6 Cg_endo -65.87 -23.73 54.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.346 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -82.58 -23.56 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -64.63 115.24 5.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.2 mmtp -61.09 158.92 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.901 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.8 -44.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -33.04 25.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.012 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -41.29 64.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 23' ' ' VAL . 11.1 mt -63.05 -48.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.288 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -49.17 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.828 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.87 -37.03 73.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -48.08 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 15' ' ' ILE . 21.0 t -60.68 -43.35 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.14 -56.7 15.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.07 -27.35 32.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.327 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 -56.41 4.52 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.27 -43.32 7.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.36 -20.48 4.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.51 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.0 133.61 87.33 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.549 0.214 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.2 140.15 63.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.394 2.063 . . . . 0.0 112.083 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.77 -47.54 5.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.557 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -50.56 -31.17 14.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -91.54 -23.0 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -70.75 144.88 50.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -141.08 111.99 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.647 HD21 HD13 ' A' ' 67' ' ' LEU . 6.7 tp -88.28 144.71 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -138.06 143.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.997 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.1 t80 -151.91 131.89 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m 60.55 21.32 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.66 -15.01 59.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.752 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -96.11 120.09 35.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.05 127.38 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.1 mtp -71.98 103.12 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -81.8 146.71 29.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -51.23 -25.98 6.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.64 -25.72 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.372 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -177.39 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 22' ' ' LYS . 21.4 p -149.2 160.7 43.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.36 -46.37 13.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.467 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.4 63.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.36 -31.02 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -97.58 23.31 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.66 35.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD13 HD21 ' A' ' 67' ' ' LEU . 31.0 mt -70.78 104.79 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.38 170.53 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.48 116.24 8.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.64 -6.33 41.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.804 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.418 ' CB ' HG23 ' A' ' 61' ' ' ILE . 24.9 m -57.1 136.91 56.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.358 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.779 HG22 ' HD2' ' A' ' 4' ' ' LYS . 17.0 t -92.47 107.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.647 HD13 HD21 ' A' ' 43' ' ' LEU . 13.9 mt -94.97 133.06 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -91.52 105.47 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.53 139.23 31.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.815 0.341 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.26 153.05 38.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 67' ' ' LEU . 34.8 pt -142.33 -178.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -141.14 115.63 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.813 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.9 t -95.96 114.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -81.91 124.75 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.33 149.28 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -57.19 -20.72 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.363 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 -32.01 29.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.0 -8.54 5.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.953 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -71.26 -177.36 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -149.23 109.45 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.5 mt -96.44 121.71 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -88.13 138.39 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.813 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.47 -176.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.53 117.98 8.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.08 160.93 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.31 157.09 43.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.0 Cg_endo -65.6 -24.2 56.07 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.585 2.19 . . . . 0.0 112.371 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -82.79 -23.38 33.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.64 117.56 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.5 mttp -61.02 158.32 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.41 -43.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.23 -32.43 24.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -44.15 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.8 mt -62.43 -47.88 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.264 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -48.37 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.78 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.74 -37.33 73.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -47.43 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 15' ' ' ILE . 21.4 t -60.87 -42.55 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.31 -56.53 17.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.463 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.21 -27.34 33.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -56.25 4.66 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.72 -43.48 7.87 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.19 -23.35 4.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.66 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 37' ' ' PRO . 50.1 mt -57.8 136.59 83.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 49.4 Cg_endo -69.02 141.95 49.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.515 2.143 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.0 Cg_exo -60.11 -45.14 24.98 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.456 2.104 . . . . 0.0 112.465 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -50.67 -31.9 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.281 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.9 -21.43 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.18 99.76 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.038 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -99.14 106.55 18.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.71 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.7 tp -88.4 145.26 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.71 HD13 ' O ' ' A' ' 43' ' ' LEU . 16.8 mm -138.11 143.74 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -152.23 123.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 m 58.58 24.09 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.49 -9.0 72.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.961 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 121.77 38.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.07 126.7 28.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 mmm -71.97 105.28 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.61 135.11 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -51.85 -24.9 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.569 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.34 -22.8 57.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.405 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -88.76 -171.99 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 9.7 p -149.48 161.61 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.41 -52.62 9.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.525 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . . . -51.29 -39.32 56.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -33.24 70.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -97.72 23.94 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.72 34.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 67' ' ' LEU . 29.0 mt -70.83 116.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.0 162.45 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.1 112.86 4.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.65 -3.21 30.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.811 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -57.12 142.78 41.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.23 111.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD1' HD12 ' A' ' 3' ' ' ILE . 9.0 mt -95.93 134.45 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.713 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -91.55 105.49 17.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -86.47 138.17 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.3 150.42 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.12 179.34 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -141.79 114.31 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -95.92 118.78 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -81.73 127.22 32.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.45 155.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.39 -21.27 35.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -82.28 -29.82 30.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.61 -13.97 5.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 178.53 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -149.35 116.43 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -96.31 140.29 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.4 137.67 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.422 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.62 -175.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -149.47 122.04 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.813 HD13 HG12 ' A' ' 26' ' ' ILE . 2.3 pt -144.09 156.72 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -91.34 165.18 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.11 -24.9 58.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.52 2.147 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -82.94 -23.33 33.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.54 105.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mtmm -61.13 162.38 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.9 t -50.13 -43.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.218 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.09 -33.3 25.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -72.94 -41.67 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.325 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.813 HG12 HD13 ' A' ' 17' ' ' ILE . 29.4 mt -63.2 -47.49 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.3 mttt -55.16 -48.4 73.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.775 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.29 -39.6 76.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.11 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 26' ' ' ILE . 24.0 t -62.81 -46.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.83 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -58.15 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.26 -27.22 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.303 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -78.06 -56.35 4.55 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -95.3 -43.46 8.03 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.79 27.81 2.22 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.703 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 37' ' ' PRO . 32.0 mt -111.56 136.11 21.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.507 0.194 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.9 Cg_endo -58.96 144.07 99.35 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.502 2.134 . . . . 0.0 112.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.94 -44.27 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.522 2.148 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.8 -28.52 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -90.68 -25.14 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.2 143.48 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.45 ' HB3' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -140.98 123.48 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.777 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -89.32 147.45 24.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 43' ' ' LEU . 23.6 mm -138.07 139.94 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -152.11 116.11 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 27.66 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.89 -6.34 79.07 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.02 111.97 23.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.99 120.22 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.587 ' HE3' HD11 ' A' ' 61' ' ' ILE . 19.1 mtp -71.92 116.54 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -81.66 144.26 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.89 -30.13 32.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.425 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.73 -12.53 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.789 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -88.88 -178.0 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.0 p -149.33 158.43 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.39 -47.71 13.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.574 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.78 61.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -34.98 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.435 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 28.3 m-85 -97.64 22.98 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.47 39.74 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.61 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.7 mt -69.92 99.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.47 172.91 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.95 114.67 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.16 -0.61 38.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.766 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.61 ' CB ' HG23 ' A' ' 61' ' ' ILE . 71.3 m -56.72 136.74 55.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.55 106.14 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.471 HD21 HD13 ' A' ' 61' ' ' ILE . 15.2 mt -96.15 127.33 42.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.1 110.17 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -86.98 133.97 33.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.688 ' N ' HD13 ' A' ' 69' ' ' LEU . 12.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -75.54 153.09 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HD12 ' A' ' 15' ' ' ILE . 30.5 pt -142.18 -176.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -140.76 108.99 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 15' ' ' ILE . 14.2 p -96.93 123.79 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.03 125.04 30.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 163.36 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 9' ' ' THR . 2.0 pp -55.97 -22.9 29.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.289 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.863 ' N ' HD12 ' A' ' 8' ' ' LEU . 90.1 m -83.3 -34.12 25.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.71 -17.04 5.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.7 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -70.96 127.53 32.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.43 115.62 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 mt -96.07 138.8 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.04 138.96 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -143.28 -176.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.54 116.39 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 29' ' ' ARG . 2.6 pp -144.27 159.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.29 154.01 44.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 36.6 Cg_endo -65.59 -25.6 54.7 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.1 m -82.89 -23.31 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -65.06 118.04 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' CG ' HG22 ' A' ' 55' ' ' THR . 10.2 mtmm -61.39 164.61 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.29 -42.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.333 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -51.06 -34.5 30.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -41.0 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.355 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.97 -48.57 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.244 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.06 70.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.661 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.95 -34.51 69.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.66 -45.51 86.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.09 -44.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.75 -55.72 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.0 -27.32 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.263 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' A' ' 15' ' ' ILE . 1.9 mmtm -77.52 -56.3 4.65 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.61 -43.58 7.87 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -26.09 4.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 37' ' ' PRO . 52.4 mt -61.46 137.05 94.61 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.596 0.236 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.1 Cg_endo -63.57 148.27 92.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.449 2.1 . . . . 0.0 112.247 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 -40.13 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.552 2.168 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.67 -29.52 11.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.64 -24.9 20.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.448 ' OE1' HD11 ' A' ' 69' ' ' LEU . 46.9 mt-30 -72.11 153.11 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.009 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 117.69 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 4.7 tp -88.93 136.19 33.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -132.39 143.11 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -152.07 131.48 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m 60.37 19.77 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -15.94 58.29 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -95.9 126.51 41.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -64.96 123.84 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.466 ' HE3' HD11 ' A' ' 61' ' ' ILE . 88.0 mtp -71.78 113.61 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 143.08 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -52.18 -25.18 8.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.532 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.45 -20.61 58.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.51 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -88.65 -177.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 22' ' ' LYS . 12.2 p -149.42 159.78 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.67 -48.04 14.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.14 61.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.72 -31.64 69.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 57.0 m-85 -98.41 22.52 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.94 35.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.814 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.1 mt -70.48 101.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.42 171.93 8.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.37 116.08 7.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.12 -4.9 35.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.799 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.564 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.75 140.35 47.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.847 0.355 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.07 106.97 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 61' ' ' ILE . 59.5 mt -95.44 125.93 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 99.11 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.4 tt -87.07 149.18 24.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.59 148.92 38.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 67' ' ' LEU . 2.7 pp -141.93 157.35 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 116.55 32.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.867 HG21 HD11 ' A' ' 15' ' ' ILE . 23.4 t -96.48 123.27 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.74 123.91 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.587 ' HB ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -79.43 154.94 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -57.74 -19.6 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.455 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 7' ' ' THR . 13.6 t -82.01 -29.64 31.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.643 0.259 . . . . 0.0 111.059 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.7 -19.14 5.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.767 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' H ' HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -70.76 -173.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -149.19 115.42 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.436 HD12 ' OE2' ' A' ' 34' ' ' GLU . 24.2 mt -96.29 132.1 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -87.94 139.84 30.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.25 176.1 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -149.22 118.23 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -144.25 179.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.25 153.4 44.55 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.85 -20.78 45.15 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.568 2.179 . . . . 0.0 112.415 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.1 p -82.52 -18.09 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.22 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.54 114.37 4.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' CG ' HG22 ' A' ' 55' ' ' THR . 11.1 mtmt -60.98 162.31 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.85 -43.76 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.359 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.22 -33.97 30.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.036 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -40.04 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.305 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 30' ' ' VAL . 36.2 mt -62.85 -48.47 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.195 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -55.24 -47.95 74.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.55 -38.44 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -64.18 -42.19 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 26' ' ' ILE . 18.4 t -61.2 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.35 -54.71 40.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.67 -27.38 27.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.226 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -56.35 4.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE2' HD12 ' A' ' 13' ' ' ILE . 11.6 mt-10 -95.75 -43.57 7.82 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.3 4.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.572 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.7 mt -60.39 136.39 91.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.534 0.207 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.2 Cg_endo -65.82 136.0 43.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.465 2.11 . . . . 0.0 112.244 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -59.31 -37.42 90.87 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.478 2.119 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.56 -31.06 14.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -90.95 -23.36 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' OE1' HD11 ' A' ' 69' ' ' LEU . 64.9 mt-30 -71.04 152.67 43.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -140.62 116.46 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.41 125.51 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 70' ' ' VAL . 24.0 mt -137.99 147.45 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -152.2 130.1 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.67 23.37 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -7.69 75.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.929 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -96.3 117.65 31.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.98 124.07 21.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.1 mmm -72.12 119.7 16.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.97 133.78 35.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -52.05 -27.91 15.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.435 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.85 -19.92 58.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.557 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -88.76 -174.58 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.474 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.5 p -148.84 158.73 44.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.61 -46.28 14.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -43.51 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -29.4 68.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 68.0 m-85 -97.77 21.15 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 36.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.4 mt -70.37 105.04 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.39 165.89 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.0 113.96 4.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.554 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.27 -10.5 19.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.757 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.495 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.0 m -56.64 137.57 53.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.28 106.18 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 3' ' ' ILE . 31.7 mt -95.71 126.87 41.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -91.72 109.24 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' OE1' ' A' ' 41' ' ' GLN . 5.8 tt -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 44' ' ' ILE . 12.4 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptp . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.66 HD22 ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -74.48 153.2 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 15' ' ' ILE . 4.2 pt -141.82 -175.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.92 119.15 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' A' ' 15' ' ' ILE . 11.9 p -96.11 119.24 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.23 107.37 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 145.7 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.777 HD21 HG13 ' A' ' 70' ' ' VAL . 1.7 mp -58.11 -19.94 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.38 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -6.42 58.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 66.2 1.39 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -167.97 121.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.89 115.96 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.42 145.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.99 138.89 31.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.589 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 179.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.05 121.32 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.442 HG21 HG12 ' A' ' 26' ' ' ILE . 2.8 pp -144.24 154.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -91.36 147.17 34.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.8 Cg_exo -53.77 -27.47 43.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.485 2.123 . . . . 0.0 112.268 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.8 -24.24 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.96 112.8 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mmmt -60.77 160.7 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.32 -42.69 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -34.4 30.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -72.94 -39.85 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 mt -63.38 -48.1 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.18 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.07 -49.57 71.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.784 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -57.64 -41.48 81.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -64.61 -43.99 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.4 t -60.98 -45.0 99.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.09 -54.49 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.48 -27.45 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -56.43 4.53 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.76 -43.38 7.91 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.71 33.01 1.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.3 mm -114.06 128.79 25.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.555 0.217 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 141.16 50.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.326 2.017 . . . . 0.0 112.149 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.28 -49.52 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.482 2.121 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.67 -29.63 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -90.97 -24.21 20.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 69' ' ' LEU . 29.5 mt-30 -70.48 112.51 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -98.67 107.78 20.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 11.4 tp -88.65 133.47 34.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.1 mt -138.1 149.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.735 ' CD1' HD23 ' A' ' 67' ' ' LEU . 44.0 t80 -152.29 120.76 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 25.86 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.75 -9.13 72.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.811 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -96.36 114.86 26.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.84 121.33 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.595 ' HE3' HD11 ' A' ' 61' ' ' ILE . 29.4 mtp -72.0 110.03 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -81.7 142.94 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.51 -25.26 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.34 -22.81 57.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.453 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -88.92 -178.89 5.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 22' ' ' LYS . 14.7 p -149.06 162.91 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.57 -50.56 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.498 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.46 62.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.458 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.61 -32.8 70.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -96.97 21.26 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.25 35.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.903 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 50' ' ' MET . 30.1 mt -71.18 104.64 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.27 166.75 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.59 114.14 4.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.08 -9.8 22.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.752 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.21 133.37 52.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.365 . . . . 0.0 110.992 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.41 96.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD23 ' CD1' ' A' ' 45' ' ' TYR . 5.2 mt -96.29 140.86 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.785 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -91.57 166.47 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.0 tt -151.05 105.11 3.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.903 0.382 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 8' ' ' LEU . 23.3 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.014 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -75.48 152.72 37.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.009 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.863 HD13 HD12 ' A' ' 67' ' ' LEU . 2.5 pp -142.27 -174.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 119.31 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.55 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.62 121.74 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -81.85 125.02 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 156.77 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.0 -21.56 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -82.51 -33.88 28.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 111.011 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.89 -12.37 4.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.846 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -176.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -149.16 119.05 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' OE2' ' A' ' 34' ' ' GLU . 21.7 mt -96.45 146.17 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -143.65 169.98 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -149.55 117.05 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.16 166.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -91.28 155.88 44.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 43.0 Cg_endo -67.68 -20.95 45.99 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.553 2.168 . . . . 0.0 112.426 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -82.57 -24.29 34.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.77 115.21 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 55' ' ' THR . 2.9 mttp -61.09 164.02 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.883 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.3 t -50.01 -45.03 22.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -32.53 24.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -72.92 -41.01 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.233 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 23' ' ' VAL . 12.4 mt -63.26 -48.32 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.316 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.92 -49.36 71.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.756 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.62 -37.86 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -64.77 -46.53 81.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.8 t -60.77 -46.49 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.43 -54.09 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.61 -27.47 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.354 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CE ' HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -77.85 -56.4 4.53 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' OE2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.54 -43.56 7.55 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.92 -13.19 6.43 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.651 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.25 115.87 38.9 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.618 0.209 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.34 151.42 17.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.404 2.069 . . . . 0.0 112.261 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 -49.24 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.517 2.145 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.8 -28.03 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.56 -25.43 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.726 ' OE1' HD11 ' A' ' 69' ' ' LEU . 35.5 mt-30 -70.89 158.38 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.945 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.29 102.01 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.633 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.676 HD23 ' SD ' ' A' ' 50' ' ' MET . 6.3 tp -88.25 133.77 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.19 145.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 67' ' ' LEU . 53.9 t80 -152.18 133.32 14.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . 0.3 OUTLIER 61.2 19.13 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.4 -19.79 45.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.619 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.22 130.57 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.92 135.33 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.676 ' SD ' HD23 ' A' ' 43' ' ' LEU . 8.1 mtp -71.93 120.28 17.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.85 35.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.17 -36.86 52.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.451 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.96 -8.84 57.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.655 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -89.13 -176.98 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.7 p -149.83 156.46 41.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.1 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.534 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.13 -43.8 61.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.323 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.14 -32.31 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.0 m-85 -98.23 19.19 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.49 34.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.886 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 67' ' ' LEU . 44.0 mt -71.22 98.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.85 172.66 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 1' ' ' MET . . . -55.29 125.15 35.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.591 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.37 60.49 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.672 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.43 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.4 m -56.24 135.87 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 t -93.08 98.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -95.7 138.56 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -92.06 152.55 19.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.1 tt -151.16 102.74 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.126 179.827 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.4 153.06 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 1.044 HD13 HD12 ' A' ' 67' ' ' LEU . 2.8 pp -140.82 155.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.68 117.6 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 15' ' ' ILE . 40.4 t -95.01 121.46 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -81.52 120.88 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.26 139.18 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 70' ' ' VAL . 12.0 tp -58.82 -15.84 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.592 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 m -79.83 -35.25 38.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.36 63.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -177.71 3.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 0.0 110.75 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -148.67 105.04 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.15 136.84 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.52 141.45 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.1 143.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.75 111.33 22.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.6 pp -144.04 139.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -91.44 153.33 44.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.4 Cg_exo -53.19 -23.1 21.71 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.441 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 p -82.13 -22.43 36.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.51 112.34 3.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 55' ' ' THR . 11.9 mtmt -60.93 155.02 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.14 -43.55 21.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.2 -33.21 26.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.21 -41.61 63.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.386 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.02 -47.07 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.298 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -54.34 44.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.87 -33.2 68.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -52.15 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 15' ' ' ILE . 33.2 t -60.89 -44.08 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.44 -56.22 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -53.93 -27.36 30.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.355 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HE2' HG23 ' A' ' 15' ' ' ILE . 17.1 mmtm -78.08 -56.3 4.59 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.83 -43.45 7.85 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.37 -0.51 7.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mm -77.41 124.72 86.86 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.717 0.258 . . . . 0.0 111.186 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.76 141.27 65.72 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.43 2.087 . . . . 0.0 112.13 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.02 -50.53 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.43 2.087 . . . . 0.0 112.354 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.77 -27.68 7.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -90.49 -26.02 19.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 69' ' ' LEU . 36.5 mt-30 -70.44 148.19 48.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.09 111.84 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 67' ' ' LEU . 14.1 tp -88.73 110.25 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.034 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mm -100.23 144.24 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 50.2 t80 -151.78 124.16 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 22.83 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.15 -10.72 67.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.882 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 120.78 37.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 118.5 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 43' ' ' LEU . 62.2 mtp -71.82 111.43 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.67 144.21 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -25.53 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.528 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.65 -22.08 57.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.546 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -88.81 -175.81 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -149.34 158.46 44.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.67 12.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.63 -43.17 62.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.353 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.88 -31.38 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 34.8 m-85 -98.36 22.08 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.04 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.868 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HD21 ' A' ' 67' ' ' LEU . 27.5 mt -70.36 104.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.32 167.53 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.63 120.93 18.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.64 -7.72 46.28 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.779 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.35 137.01 53.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.338 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.06 105.92 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.044 HD12 HD13 ' A' ' 3' ' ' ILE . 4.2 mt -96.09 130.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -91.94 101.02 13.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 41' ' ' GLN . 6.1 tp -86.52 104.12 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 8' ' ' LEU . 12.2 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.802 0.334 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.51 151.5 37.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 15' ' ' ILE . 18.4 pt -142.28 -177.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -139.93 117.64 11.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.945 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.6 t -96.61 115.83 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.224 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -81.81 117.75 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.3 tt -57.73 -19.69 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.443 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -81.48 -29.25 33.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.661 0.267 . . . . 0.0 111.133 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.57 -15.41 7.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.824 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -175.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -147.82 122.85 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mt -95.93 131.29 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.84 134.52 33.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.945 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.08 176.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -145.66 114.96 7.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.97 166.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -91.22 158.16 41.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.78 -21.18 51.49 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -82.39 -21.85 35.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.61 116.02 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 55' ' ' THR . 8.4 mttp -60.97 159.57 11.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.8 t -49.67 -44.79 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.314 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.18 -31.59 20.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -46.36 45.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' VAL . 13.5 mt -62.88 -44.3 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.271 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -55.79 -54.7 41.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.978 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.82 -32.08 67.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.04 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.5 t -61.23 -43.17 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.69 -55.89 25.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.2 -27.42 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -77.89 -56.32 4.6 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -95.55 -43.5 7.92 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 -23.85 4.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.643 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.0 mt -60.11 136.4 91.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 36' ' ' ILE . 37.4 Cg_endo -65.94 141.85 66.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 25.4 Cg_exo -62.77 -45.8 12.7 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.497 2.131 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -50.6 -30.75 14.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.279 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.75 -23.27 20.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.0 mt-30 -70.75 110.96 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -98.9 113.29 25.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.683 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.819 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -88.08 137.88 31.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 43' ' ' LEU . 15.5 mm -138.09 141.43 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -152.31 120.09 6.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m 59.91 23.99 13.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.48 -12.26 65.59 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.724 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -96.32 118.27 32.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.792 0.33 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.88 127.95 33.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.54 ' HE3' HD11 ' A' ' 61' ' ' ILE . 16.0 mtp -72.01 111.74 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.5 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.75 -25.37 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.546 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.42 -22.91 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.392 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -88.79 -171.26 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.385 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.517 HG22 ' CG ' ' A' ' 22' ' ' LYS . 14.1 p -149.7 162.89 39.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.16 -50.81 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.514 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -41.27 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.317 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -32.29 69.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -97.77 24.6 6.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.76 38.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.753 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 56' ' ' ALA . 33.9 mt -70.79 112.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.61 166.25 12.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.08 118.79 13.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.67 -0.12 56.61 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.828 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.509 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.2 m -56.64 136.92 54.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.849 0.356 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 t -93.6 106.01 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 3' ' ' ILE . 7.1 mt -95.62 143.63 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.0 158.83 16.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.1 tt -151.2 136.76 17.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 8' ' ' LEU . 21.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 15' ' ' ILE . 5.0 tp -75.32 148.9 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.789 HD11 HD12 ' A' ' 15' ' ' ILE . 2.5 pp -142.52 -176.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -139.64 113.23 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.53 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.28 117.92 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 142.22 35.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.678 HD22 HG23 ' A' ' 70' ' ' VAL . 23.9 tp -58.45 -17.95 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -80.9 -34.46 33.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.795 0.331 . . . . 0.0 111.018 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.53 68.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.73 134.4 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -91.68 109.54 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' HB ' ' CG1' ' A' ' 5' ' ' VAL . 25.6 mt -96.38 132.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.7 140.61 29.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 176.92 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.93 111.96 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.617 HD13 ' OD1' ' A' ' 21' ' ' ASP . 2.9 pp -144.73 168.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.85 138.04 26.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 -22.15 20.79 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.747 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -82.64 -15.74 50.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.603 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.617 ' OD1' HD13 ' A' ' 17' ' ' ILE . 1.2 p-10 -64.69 125.33 24.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.889 0.376 . . . . 0.0 111.064 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.3 mttp -61.6 154.25 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 54' ' ' LYS . 21.7 t -49.16 -46.73 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.18 -31.87 21.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -73.3 -42.12 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.49 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 23' ' ' VAL . 42.2 mt -62.72 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.164 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -55.18 -48.48 73.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.729 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.1 -35.81 71.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -44.83 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.2 t -60.57 -43.49 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -55.13 -55.56 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.424 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -53.48 -27.4 24.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -78.21 -56.33 4.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.413 ' OE2' HD12 ' A' ' 36' ' ' ILE . 12.5 pt-20 -96.48 -43.47 7.61 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.16 -26.55 3.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.622 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.485 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -60.78 137.04 93.24 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.603 0.24 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 36' ' ' ILE . 23.1 Cg_endo -61.34 147.8 94.6 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.196 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.91 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.464 2.109 . . . . 0.0 112.437 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -50.7 -28.46 9.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -90.7 -25.2 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 69' ' ' LEU . 41.0 mt-30 -70.37 150.61 46.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -140.46 115.88 10.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 67' ' ' LEU . 8.8 tp -88.46 113.46 24.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.95 134.38 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -152.46 135.68 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 29.88 18.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.13 27.31 72.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.403 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.14 127.36 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.794 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -64.55 125.44 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.5 mmm -71.82 120.47 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.46 138.23 35.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -51.79 -25.88 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.485 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.93 -22.05 56.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.601 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 mmtt -88.72 -177.4 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -148.83 158.41 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.656 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.42 -44.92 12.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.434 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.06 61.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.252 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.769 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 59.1 m-85 -98.4 22.36 9.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.05 37.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.811 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' ALA . 46.4 mt -70.29 103.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mp -91.61 168.27 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.33 120.55 18.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.563 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.23 -9.48 42.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.503 ' CB ' HG23 ' A' ' 61' ' ' ILE . 50.2 m -56.21 134.58 53.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.53 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 mt -95.8 143.16 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.738 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -92.5 169.23 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 41' ' ' GLN . 5.6 tp -151.19 140.13 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.678 HG23 HD22 ' A' ' 8' ' ' LEU . 12.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 152.24 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 67' ' ' LEU . 2.6 pp -141.29 -174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 3' ' ' ILE . 15.1 mtmt -139.0 114.77 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.513 ' CG1' HD11 ' A' ' 15' ' ' ILE . 12.3 p -96.03 123.48 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 148.63 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.069 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HG13 ' A' ' 70' ' ' VAL . 7.4 tt -57.64 -19.69 28.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.367 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 m -81.24 -30.07 34.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.752 0.311 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.38 70.01 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 129.94 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.54 110.7 21.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -96.38 138.34 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 131.35 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.26 147.43 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -91.04 127.02 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.43 -176.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -148.35 148.71 29.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 54.1 Cg_exo -52.18 -24.68 21.08 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.573 2.182 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -82.79 -28.32 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.87 105.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mttp -60.97 166.47 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.924 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -49.66 -47.6 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.257 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -32.09 22.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -42.19 63.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.7 mt -62.86 -48.27 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.276 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -55.08 -48.36 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.752 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.6 -38.7 75.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.62 -44.17 91.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.735 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.5 t -60.97 -45.26 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 1.3 tt0 -54.92 -55.1 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.92 -27.33 30.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.268 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -56.4 4.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -95.7 -43.49 7.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.77 -26.28 4.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.586 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.4 mt -60.26 136.51 91.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.568 0.223 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.8 Cg_endo -63.45 148.26 92.75 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.29 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.29 -44.99 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -29.39 11.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -90.79 -24.16 20.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' OE1' HG11 ' A' ' 30' ' ' VAL . 35.1 mt-30 -70.01 162.41 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.674 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -140.97 116.44 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.683 HD23 HG13 ' A' ' 23' ' ' VAL . 17.0 tp -89.02 136.25 33.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 ' HD3' ' A' ' 42' ' ' ARG . 16.0 mm -137.63 144.98 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' HD23 ' A' ' 67' ' ' LEU . 16.8 t80 -152.43 116.23 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.84 26.78 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.13 -8.06 75.35 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.783 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 115.51 27.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.526 ' HG3' HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -64.91 117.1 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.439 ' CE ' ' CD2' ' A' ' 59' ' ' TYR . 30.0 mtp -72.13 108.27 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.77 146.94 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.55 -25.86 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.81 -23.14 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.483 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -88.89 177.29 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' CG ' ' A' ' 22' ' ' LYS . 36.2 p -149.68 162.29 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.45 -45.49 13.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.444 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.86 62.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -35.61 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.751 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 73.9 m-85 -98.05 24.76 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.84 34.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.979 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.839 HD13 HD21 ' A' ' 67' ' ' LEU . 15.9 mt -71.62 141.73 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -148.12 -174.08 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 121.1 21.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.615 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.97 -14.36 55.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.805 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.3 m -56.78 122.49 12.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.1 p -92.29 99.73 10.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 61' ' ' ILE . 2.2 mt -95.56 143.82 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' HD12 ' A' ' 43' ' ' LEU . 38.5 m80 -91.82 164.15 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -151.26 131.7 13.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.868 HG13 HD12 ' A' ' 8' ' ' LEU . 21.9 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 15' ' ' ILE . 4.5 mm? -75.41 141.96 43.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pt -142.21 -179.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -140.35 117.27 11.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 15' ' ' ILE . 22.0 t -96.31 120.65 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -82.35 113.13 19.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 147.59 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 70' ' ' VAL . 14.1 tp -57.75 -19.79 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -81.59 -30.63 32.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.991 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.2 67.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.601 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 131.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -90.82 119.92 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mt -96.05 131.18 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.12 130.81 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.925 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.31 179.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -145.71 122.32 11.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 HG12 ' A' ' 26' ' ' ILE . 2.7 pp -144.27 153.21 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.33 150.21 41.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . 53.3 Cg_exo -52.45 -24.4 21.75 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.62 2.214 . . . . 0.0 112.289 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.5 p -82.7 -25.39 33.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -64.59 106.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HG2' HG22 ' A' ' 55' ' ' THR . 12.5 mttp -60.92 159.64 11.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -49.95 -40.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.363 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.24 -36.89 44.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.63 -41.68 65.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.9 mt -63.19 -47.85 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -48.98 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.759 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.67 -41.59 81.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -42.51 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 26' ' ' ILE . 27.5 t -61.12 -45.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.23 -54.73 39.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.9 -27.34 29.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -77.06 -56.33 4.67 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.32 -43.62 7.95 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.1 4.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.579 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.447 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -62.07 136.39 95.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.624 0.249 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 36' ' ' ILE . 35.3 Cg_endo -64.86 150.29 88.35 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.456 2.104 . . . . 0.0 112.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.33 -43.7 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.478 2.119 . . . . 0.0 112.399 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -50.74 -31.15 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.88 -22.55 20.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.006 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.1 mt-30 -69.94 145.84 51.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.13 106.72 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' ILE . 2.9 tp -89.06 149.45 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.826 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.1 mm -138.08 140.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.742 ' CD1' HD23 ' A' ' 67' ' ' LEU . 66.9 t80 -152.26 119.13 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.808 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m 61.57 23.87 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.41 -7.2 77.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.78 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -97.07 118.27 33.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.02 130.01 41.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 43' ' ' LEU . 82.0 mmm -72.02 95.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -82.01 140.83 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -51.4 -25.88 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.75 -23.69 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -89.08 -176.77 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.49 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.0 p -149.73 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.44 -47.05 13.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -51.1 -43.53 61.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.388 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.411 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 90.6 m-85 -97.35 19.27 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 35.95 37.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.89 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.591 HG23 ' CB ' ' A' ' 65' ' ' SER . 39.5 mt -70.42 104.94 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -92.68 171.7 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.6 101.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.17 -9.65 7.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.834 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.47 128.56 36.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.016 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.18 98.88 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 45' ' ' TYR . 4.2 mt -95.69 142.41 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 35.9 m170 -92.04 167.69 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.2 tt -151.22 130.56 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.931 HG13 HD13 ' A' ' 8' ' ' LEU . 18.2 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.987 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.871 0.367 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -75.6 153.07 37.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.447 HD12 HD12 ' A' ' 67' ' ' LEU . 18.8 pt -141.81 -179.05 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -141.17 108.9 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.4 t -96.57 117.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -81.89 121.82 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.27 157.39 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD23 HG22 ' A' ' 7' ' ' THR . 1.1 pt? -56.76 -22.62 37.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.242 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -83.11 -30.71 27.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.951 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.82 -13.24 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.845 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -71.05 131.66 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 115.05 27.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.3 118.66 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.9 134.79 33.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.51 -174.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.99 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -149.5 118.66 6.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.855 HD13 HG12 ' A' ' 26' ' ' ILE . 1.7 pt -144.16 155.49 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.43 152.47 43.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.32 -23.27 23.08 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.568 2.179 . . . . 0.0 112.421 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 m -82.27 -21.41 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.6 108.01 1.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mtmm -60.77 161.83 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.896 ' HA ' HD12 ' A' ' 26' ' ' ILE . 28.9 t -50.4 -43.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -51.14 -34.38 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -72.95 -41.27 64.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 23' ' ' VAL . 10.8 mt -63.04 -47.99 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.254 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -49.33 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.69 -37.05 72.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.662 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 26' ' ' ILE . 32.6 t -62.55 -47.49 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -57.44 10.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.76 -27.13 26.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.358 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -77.43 -56.32 4.64 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.9 -43.57 8.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.9 47.18 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG23 ' HD2' ' A' ' 37' ' ' PRO . 11.8 mt -137.57 140.04 28.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 36' ' ' ILE . 52.9 Cg_exo -52.15 133.31 46.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.95 -41.23 2.9 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.461 2.108 . . . . 0.0 112.183 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.55 -25.41 6.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -89.05 -25.84 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.211 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HB3' HD11 ' A' ' 69' ' ' LEU . 75.4 mt-30 -69.14 158.71 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -141.14 116.1 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 67' ' ' LEU . 14.2 tp -89.51 109.03 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.515 HD11 ' HD2' ' A' ' 42' ' ' ARG . 26.9 mm -100.3 130.33 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.687 ' CD1' HD23 ' A' ' 67' ' ' LEU . 10.6 t80 -152.32 132.06 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.1 36.12 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.65 28.07 64.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -142.13 125.01 16.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.333 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -64.78 122.13 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.562 ' SD ' HD23 ' A' ' 43' ' ' LEU . 63.6 mtp -71.88 117.36 13.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -81.76 143.01 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -51.92 -25.18 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.585 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.32 -21.15 58.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.553 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -88.52 -178.02 5.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 22' ' ' LYS . 26.0 p -149.23 161.9 41.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.965 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.59 -46.43 14.29 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.03 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -32.38 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.1 m-85 -98.62 21.69 10.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.969 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.41 35.09 0.05 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.732 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.3 mt -70.61 100.46 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mt -91.37 171.03 9.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.71 113.87 4.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.78 -4.77 29.17 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.582 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.6 m -56.67 137.04 54.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.7 t -93.22 106.57 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.018 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.687 HD23 ' CD1' ' A' ' 45' ' ' TYR . 13.9 mt -95.93 129.32 43.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -91.79 106.0 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 41' ' ' GLN . 7.8 tp -85.97 138.05 32.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -144.87 157.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.1 tp -78.74 146.14 34.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -160.62 118.67 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.003 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.34 166.07 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -168.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.2 -32.68 7.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.437 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.322 -1.266 . . . . 0.0 112.449 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -75.3 148.53 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 67' ' ' LEU . 26.5 pt -141.92 149.71 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.63 114.59 28.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.723 ' HB ' HD11 ' A' ' 15' ' ' ILE . 12.1 p -96.15 121.26 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -81.24 120.9 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 155.41 28.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -20.7 31.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.302 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -34.11 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.008 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.79 -15.92 4.82 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.85 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -173.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.755 0.312 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -149.22 117.35 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' HG12 ' A' ' 5' ' ' VAL . 32.0 mt -96.7 145.63 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -88.69 142.49 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.723 HD11 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.65 176.42 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -149.67 117.29 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.803 HD13 ' CD1' ' A' ' 26' ' ' ILE . 1.7 pt -144.3 150.95 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.45 151.42 42.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -52.76 -25.27 26.23 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.63 2.22 . . . . 0.0 112.319 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -82.59 -23.34 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -64.93 109.91 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HA ' HG22 ' A' ' 55' ' ' THR . 4.4 mttp -61.0 160.37 10.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.11 -43.91 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -51.16 -33.56 27.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -73.03 -41.38 64.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.409 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.803 ' CD1' HD13 ' A' ' 17' ' ' ILE . 39.9 mt -63.23 -47.82 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -49.25 72.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -57.49 -37.93 73.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -64.38 -42.46 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.589 HG11 ' OE1' ' A' ' 41' ' ' GLN . 18.2 t -60.72 -45.43 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.668 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 3.3 tt0 -55.75 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.33 31.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.353 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -77.25 -56.28 4.69 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' HG12 ' A' ' 30' ' ' VAL . 3.0 pm0 -95.94 -43.36 7.85 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.83 -28.18 3.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HD2' ' A' ' 37' ' ' PRO . 41.9 mt -60.74 136.86 93.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.525 0.202 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.3 Cg_endo -60.31 143.78 99.5 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.456 2.104 . . . . 0.0 112.193 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.73 -41.0 2.42 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.146 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -50.66 -28.37 8.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -90.8 -26.17 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.589 ' OE1' HG11 ' A' ' 30' ' ' VAL . 48.6 mt-30 -71.24 149.36 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HB3' HG13 ' A' ' 70' ' ' VAL . 5.8 tpt180 -141.76 120.47 12.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 6.9 tp -89.07 146.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 43' ' ' LEU . 12.6 mm -138.04 142.88 34.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -152.04 113.22 4.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 m 61.04 29.73 19.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.764 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -1.0 86.7 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.757 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -96.82 111.84 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.29 127.52 32.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.566 ' SD ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.94 104.09 3.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.73 137.57 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -51.61 -26.11 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 -24.26 56.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.42 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -89.1 -178.8 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 22' ' ' LYS . 16.0 p -149.26 162.82 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.74 -49.32 14.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.414 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -44.18 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.282 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -31.88 70.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 19.9 m-85 -97.77 19.41 13.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.045 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.13 34.7 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.844 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.581 HG23 ' CB ' ' A' ' 65' ' ' SER . 32.7 mt -70.9 101.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.31 167.8 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.95 115.41 5.55 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.46 -10.53 21.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.654 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.581 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.6 m -56.08 136.63 52.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.06 106.0 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 43' ' ' LEU . 13.8 mt -95.81 127.57 41.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -91.67 108.58 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.081 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.2 tp -86.44 139.78 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 42' ' ' ARG . 14.9 p -145.88 145.3 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.223 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 73' ' ' LEU . 1.3 tt -78.76 146.69 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' N ' HD23 ' A' ' 71' ' ' LEU . . . -78.98 121.13 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.1 pt? -159.51 177.91 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.18 -53.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.73 -28.05 15.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.855 0.359 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.6 pp -75.26 147.76 39.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HD12 ' A' ' 67' ' ' LEU . 2.3 pp -142.5 -178.33 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -140.34 111.39 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.78 112.46 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.286 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -82.0 122.74 28.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.31 144.1 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -57.54 -19.15 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.46 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.4 m -81.24 -35.21 31.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 0.0 111.02 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.74 66.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.5 128.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.44 117.42 29.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 15' ' ' ILE . 22.2 mt -95.94 141.15 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.813 ' O ' HD13 ' A' ' 15' ' ' ILE . 3.5 mt-10 -88.75 125.17 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -140.79 170.2 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -145.27 122.93 11.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.451 HG22 HH21 ' A' ' 29' ' ' ARG . 2.7 pp -144.39 152.31 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.34 146.4 33.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.659 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.6 Cg_exo -53.25 -23.77 24.37 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.53 2.153 . . . . 0.0 112.427 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 t -82.47 -26.47 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.043 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.63 116.16 5.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' HA ' HG22 ' A' ' 55' ' ' THR . 6.7 mttt -60.8 160.5 9.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -50.23 -43.68 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.19 -33.96 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.0 -41.21 64.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.1 mt -62.64 -48.31 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.159 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -55.36 -48.17 74.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.701 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.72 -36.72 72.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.451 HH21 HG22 ' A' ' 17' ' ' ILE . 3.4 tpp180 -63.97 -42.8 97.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.0 t -61.89 -47.2 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.76 -57.6 10.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.801 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -53.43 -27.25 23.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.349 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -56.42 4.52 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 -43.42 7.65 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.38 44.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.4 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.413 HG23 ' HD2' ' A' ' 37' ' ' PRO . 33.1 mt -124.85 136.14 27.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 36' ' ' ILE . 20.3 Cg_endo -60.55 124.52 15.24 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.513 2.142 . . . . 0.0 112.187 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.42 -42.49 65.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.459 2.106 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.64 -30.43 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -90.79 -23.77 20.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.985 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -70.66 151.15 45.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.25 113.59 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 44' ' ' ILE . 12.1 tp -88.8 146.95 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.6 mm -138.05 144.9 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.482 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.1 t80 -152.17 119.3 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 24.82 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.08 -9.74 71.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.869 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.13 121.33 37.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.74 126.77 28.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.607 ' SD ' HD23 ' A' ' 43' ' ' LEU . 3.9 mtp -71.86 107.14 4.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -81.71 139.49 34.86 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -51.57 -26.01 7.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.507 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -75.83 -22.72 56.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.476 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -88.8 -177.63 5.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 22' ' ' LYS . 17.8 p -149.33 161.13 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.32 -47.91 13.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.432 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.23 -45.02 61.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.205 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.03 -31.62 70.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.716 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 35.2 m-85 -98.47 22.08 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.674 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.52 35.35 0.06 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.794 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG23 ' CB ' ' A' ' 65' ' ' SER . 33.2 mt -70.93 96.39 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -91.49 175.14 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 103.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.93 -7.92 8.71 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.767 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.551 ' CB ' HG23 ' A' ' 61' ' ' ILE . 27.2 m -56.19 137.51 51.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.833 0.349 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.95 106.82 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 3' ' ' ILE . 12.4 mt -95.53 126.71 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -91.58 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.014 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.53 143.34 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.92 129.6 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 146.75 33.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.54 -172.83 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt -80.31 118.62 22.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -79.82 78.77 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.11 -93.68 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.56 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 tpp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -75.36 146.95 40.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.921 HD13 HD12 ' A' ' 67' ' ' LEU . 2.0 pp -142.02 -176.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -140.52 118.26 11.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.4 p -95.71 119.49 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.058 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.63 123.25 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.77 153.58 29.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.29 -21.25 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.376 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.0 m -82.43 -32.04 29.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.031 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -13.59 4.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.829 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 179.12 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.13 115.53 5.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -96.2 127.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.77 141.64 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.29 -179.69 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -149.18 115.27 5.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.21 172.39 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.43 144.36 29.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.79 -21.26 31.88 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.463 2.109 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.1 p -82.47 -20.54 36.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.353 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.51 116.93 6.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.3 mttp -61.41 160.43 10.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 26' ' ' ILE . 22.4 t -50.18 -44.3 22.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.0 -31.98 19.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -45.35 53.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.428 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.843 HD12 ' HA ' ' A' ' 23' ' ' VAL . 6.7 mt -62.57 -47.02 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.228 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -48.78 73.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.631 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.93 -36.7 72.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -63.87 -41.75 97.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.562 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.7 t -61.39 -46.44 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.802 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.54 -56.67 16.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -52.93 -27.42 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.251 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE3' HG23 ' A' ' 15' ' ' ILE . 17.7 mmtt -78.81 -56.29 4.52 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -97.24 -43.38 7.37 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 32.6 1.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.416 HG23 ' HD2' ' A' ' 37' ' ' PRO . 35.8 mt -110.98 136.25 20.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.561 0.219 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 36' ' ' ILE . 21.8 Cg_endo -61.01 117.88 4.7 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.579 2.186 . . . . 0.0 112.215 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.41 -40.53 70.92 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.088 . . . . 0.0 112.299 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.67 -28.62 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -91.0 -25.21 19.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.459 ' CB ' HD11 ' A' ' 69' ' ' LEU . 39.6 mt-30 -70.59 144.38 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.503 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -139.71 113.25 8.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.651 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 67' ' ' LEU . 9.3 tp -88.52 115.54 26.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.503 HD11 ' HD3' ' A' ' 42' ' ' ARG . 21.3 mm -101.48 142.89 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.68 124.47 8.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m 61.48 20.36 11.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.21 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.46 -14.78 60.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.2 125.47 40.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.392 . . . . 0.0 110.968 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.97 125.39 24.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.659 ' HE3' HD11 ' A' ' 61' ' ' ILE . 85.6 mtp -71.77 115.04 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -81.78 140.28 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.002 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.2 -26.36 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.552 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -75.74 -19.37 59.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.608 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -88.37 -176.12 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HG2' ' A' ' 22' ' ' LYS . 11.3 p -148.81 159.56 44.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.71 -48.54 15.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.08 -44.06 61.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.92 -30.72 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 33.7 m-85 -97.9 21.81 10.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.036 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.89 37.85 0.08 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.858 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.659 HD11 ' HE3' ' A' ' 50' ' ' MET . 31.6 mt -70.44 108.25 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -91.61 168.14 11.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.971 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.71 2.58 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.562 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.22 -2.01 28.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.563 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -56.98 136.74 56.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.41 106.9 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 43' ' ' LEU . 11.1 mt -95.95 131.08 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -92.08 105.91 18.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 41' ' ' GLN . 25.9 tp -86.09 137.92 32.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' HA ' HD23 ' A' ' 8' ' ' LEU . 12.0 p -146.26 154.58 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' N ' HG22 ' A' ' 70' ' ' VAL . 2.7 tp -78.97 129.05 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.04 164.02 24.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -80.69 -72.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.97 86.8 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.29 135.5 18.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.579 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.483 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.27 153.06 38.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.454 HD12 HD12 ' A' ' 67' ' ' LEU . 2.3 pt -141.41 145.28 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -105.64 114.2 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 15' ' ' ILE . 26.0 t -95.01 119.95 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.181 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -81.79 125.35 30.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 152.51 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.875 HD12 HG13 ' A' ' 70' ' ' VAL . 7.7 tt -57.42 -20.32 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.401 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -29.18 32.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.56 -12.54 5.69 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.886 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -179.61 2.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -149.01 103.91 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.3 mt -97.04 130.09 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.6 143.69 27.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.758 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.826 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.35 141.98 25.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 111.233 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -92.72 110.1 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 pp -144.43 149.19 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.54 146.76 33.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.1 Cg_exo -53.28 -24.03 25.53 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.559 2.172 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 p -82.68 -20.44 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.67 116.73 6.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 mttm -61.03 160.22 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.6 t -50.21 -44.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.275 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.24 -32.55 24.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -73.34 -42.89 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 30' ' ' VAL . 49.4 mt -63.24 -47.49 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.292 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -50.6 68.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.712 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.98 -35.41 71.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.514 ' HD2' HG22 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.57 -45.6 86.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.9 t -61.12 -46.85 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.07 -54.86 37.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.615 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -53.63 -27.26 26.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -56.38 4.62 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.84 -43.5 7.82 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.55 -26.75 4.29 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.591 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.014 HD13 HD21 ' A' ' 71' ' ' LEU . 47.2 mt -59.94 137.04 90.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.507 0.194 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HD2' HG23 ' A' ' 36' ' ' ILE . 29.4 Cg_endo -63.17 142.27 86.07 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.456 2.104 . . . . 0.0 112.144 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 -39.22 4.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.509 2.14 . . . . 0.0 112.403 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -50.61 -29.29 10.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -90.78 -25.51 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.473 ' OE1' HD11 ' A' ' 69' ' ' LEU . 44.3 mt-30 -72.34 154.3 41.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -139.32 116.37 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.552 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' SD ' ' A' ' 50' ' ' MET . 16.4 tp -88.17 107.08 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 42' ' ' ARG . 23.2 mm -101.86 141.84 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.688 ' CD1' HD23 ' A' ' 67' ' ' LEU . 52.1 t80 -151.95 119.74 6.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 m 60.68 23.15 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.02 -11.74 66.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.845 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -96.23 116.47 29.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 121.16 14.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.44 ' CE ' ' CD1' ' A' ' 59' ' ' TYR . 41.3 mtp -71.85 105.11 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -81.73 147.83 29.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.27 -25.62 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.531 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -75.35 -25.59 57.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.485 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -89.16 -178.04 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 ' HG2' ' A' ' 22' ' ' LYS . 16.4 p -149.73 160.35 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.5 -48.18 14.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.517 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -39.24 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.07 -34.03 71.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.747 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' CD1' ' CE ' ' A' ' 50' ' ' MET . 42.9 m-85 -97.67 23.5 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.59 38.48 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.586 HG23 ' CB ' ' A' ' 65' ' ' SER . 23.9 mt -70.69 111.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? -91.22 166.83 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.05 110.86 2.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.42 1.19 33.02 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.817 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.586 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -56.73 144.25 33.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.932 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.81 108.14 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 45' ' ' TYR . 14.2 mt -96.46 174.21 6.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -142.99 106.19 4.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 70' ' ' VAL . 1.6 tt -85.88 153.14 22.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.997 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG13 HD12 ' A' ' 8' ' ' LEU . 22.0 t -145.39 121.97 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.014 HD21 HD13 ' A' ' 36' ' ' ILE . 6.8 mp -79.4 144.88 33.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.59 -165.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mp -80.19 112.31 17.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -79.85 86.58 5.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.95 -134.25 31.86 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.533 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -75.53 153.09 37.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.693 HD13 HD12 ' A' ' 67' ' ' LEU . 2.2 pp -140.92 -176.16 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -141.14 114.98 9.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.999 HG21 HD12 ' A' ' 69' ' ' LEU . 11.7 p -96.27 127.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.035 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 124.04 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 138.57 37.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.002 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -57.8 -17.42 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.385 179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.3 m -80.7 -36.25 32.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.59 64.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.87 -173.36 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.67 112.27 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.98 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.5 mt -96.97 144.9 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.43 137.85 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.715 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.769 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -143.49 141.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 111.15 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.87 119.18 31.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.608 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.42 138.32 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -91.86 148.71 37.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 -29.5 58.44 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.597 2.198 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -83.05 -21.16 33.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.356 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.94 110.58 2.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.2 mtmp? -61.01 164.89 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.88 -46.11 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.336 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.09 -32.47 22.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -73.65 -44.98 55.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.6 mt -63.35 -45.9 96.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.279 179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -54.57 41.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.953 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.04 -32.69 68.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -64.88 -46.0 83.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.612 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 t -60.88 -44.07 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.61 -55.83 25.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.06 -27.5 32.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -78.37 -56.31 4.55 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -95.67 -43.56 7.86 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -24.94 4.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' A' ' 37' ' ' PRO . 39.2 mt -60.45 136.24 91.94 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.569 0.223 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 39.5 Cg_endo -66.96 138.04 46.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.496 2.131 . . . . 0.0 112.339 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.0 Cg_exo -58.25 -45.05 33.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.396 2.064 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.69 -28.93 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.3 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -90.6 -24.97 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -70.44 150.75 45.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HD3' HD11 ' A' ' 44' ' ' ILE . 4.8 ttm180 -141.29 113.86 8.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.777 ' O ' HD13 ' A' ' 44' ' ' ILE . 11.4 tp -88.87 143.8 26.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.777 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.3 mm -138.03 142.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -152.11 122.66 7.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m 61.15 21.83 12.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.41 -14.25 61.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.754 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -96.37 122.67 39.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.13 136.05 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.715 ' SD ' HD23 ' A' ' 43' ' ' LEU . 2.0 mtp -71.94 119.28 15.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -81.76 133.71 35.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.79 -35.62 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.416 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.99 -13.51 60.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.691 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -88.83 -177.32 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.721 0.296 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.568 HG22 ' CG ' ' A' ' 22' ' ' LYS . 25.5 p -149.3 160.93 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.91 -45.56 15.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.409 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.36 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.307 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.93 -32.8 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 12.9 m-85 -98.6 21.62 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.68 34.6 0.06 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.774 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.613 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.0 mt -71.06 99.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -91.13 170.67 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.35 116.23 6.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 -3.83 34.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.914 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.613 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -56.33 138.01 51.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 106.29 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 3' ' ' ILE . 27.4 mt -96.58 127.79 42.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.752 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -91.11 112.72 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.017 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.999 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -86.67 144.0 27.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -146.19 142.2 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mp -78.91 140.51 38.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.78 172.6 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 73' ' ' LEU . 18.2 mt -158.87 93.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 62.07 103.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.19 57.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.315 -1.27 . . . . 0.0 112.565 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.758 0.313 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -75.49 143.82 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.608 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.0 pt -142.13 149.63 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -105.63 118.45 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -96.21 117.51 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 68' ' ' HIS . 1.6 tttp -81.81 123.25 28.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 156.66 27.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.087 HD13 HG13 ' A' ' 70' ' ' VAL . 60.1 tp -57.03 -21.46 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.332 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -29.63 30.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.047 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.34 -9.66 6.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.894 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 179.88 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.02 111.85 4.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG12 ' A' ' 5' ' ' VAL . 22.4 mt -96.33 130.63 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -87.79 137.69 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.644 HG23 ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -143.37 -177.02 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -149.63 121.15 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pp -144.15 162.53 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.29 148.57 38.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.46 -21.82 25.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.621 2.214 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p -82.2 -23.85 35.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.168 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.72 107.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CG ' HG22 ' A' ' 55' ' ' THR . 4.6 mttp -60.9 166.26 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.9 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -50.04 -42.92 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.224 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.21 -33.43 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -45.61 53.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.52 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 23' ' ' VAL . 5.1 mt -62.24 -46.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.327 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -49.63 71.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.692 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.94 -36.28 72.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -42.59 96.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.759 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' ILE . 29.6 t -61.44 -48.21 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.67 -55.69 27.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.15 -27.45 21.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.368 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HE2' HG23 ' A' ' 15' ' ' ILE . 5.4 mmmt -78.27 -56.34 4.53 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.48 -43.5 7.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.65 33.96 1.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.462 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.2 mm -111.94 135.99 21.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.529 0.204 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -62.33 125.24 15.85 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.472 2.114 . . . . 0.0 112.188 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.7 -46.92 28.18 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.506 2.137 . . . . 0.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -50.88 -27.97 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.83 -25.09 20.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -69.63 158.29 35.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -140.64 113.74 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.5 tp -89.44 135.74 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 43' ' ' LEU . 11.4 mm -136.82 129.51 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' HD23 ' A' ' 67' ' ' LEU . 13.9 t80 -152.5 136.48 16.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.38 31.44 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 28.25 72.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.422 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -142.06 125.61 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -64.8 122.94 18.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.592 ' SD ' HD23 ' A' ' 43' ' ' LEU . 27.7 mtp -72.3 113.54 9.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -81.75 143.67 31.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -51.98 -25.37 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.532 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -75.49 -20.69 58.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.583 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -88.57 179.65 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 22' ' ' LYS . 11.2 p -149.53 160.93 43.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.54 -50.61 12.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.488 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.36 -42.13 61.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.97 -31.52 69.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 39.9 m-85 -97.9 20.87 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.571 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 36.78 37.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.866 179.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 56' ' ' ALA . 36.3 mt -70.59 101.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 60' ' ' LYS . 3.6 mp -91.43 171.28 9.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.46 109.98 2.27 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.427 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.62 -10.9 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.747 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.576 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.6 m -56.31 133.4 52.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 0.0 111.02 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.35 99.36 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.608 HD12 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mt -95.84 135.05 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.428 ' CE1' ' HD2' ' A' ' 6' ' ' LYS . 6.7 m-70 -91.87 161.8 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -151.26 140.09 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.087 HG13 HD13 ' A' ' 8' ' ' LEU . 21.9 t -145.6 143.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -79.21 148.08 32.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.11 162.73 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mt 57.79 88.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.02 142.69 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.03 86.96 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.559 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.51 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.823 0.345 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 70.1 mt -75.43 149.33 38.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 67' ' ' LEU . 3.2 pt -142.12 -177.96 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -140.9 112.38 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG21 HD12 ' A' ' 15' ' ' ILE . 23.7 t -95.67 114.52 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -82.1 120.28 25.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.525 HG22 HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -79.25 170.51 16.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.979 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt? -56.61 -26.32 55.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -83.06 -29.98 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.91 -0.79 15.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -71.24 120.98 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.09 103.94 16.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -96.07 138.07 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -88.0 130.19 35.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.55 HD12 HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.02 142.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.8 126.95 37.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.574 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.6 139.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -91.37 147.43 35.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.89 -27.51 53.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.488 2.125 . . . . 0.0 112.274 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.7 p -83.15 -24.77 32.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.84 108.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 55' ' ' THR . 2.1 mttm -60.74 169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -49.66 -44.67 19.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.277 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -32.46 23.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -73.18 -42.27 62.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.375 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.641 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.8 mt -63.81 -47.04 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.295 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -54.6 39.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.981 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -34.15 69.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -47.95 76.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 26' ' ' ILE . 11.2 t -61.67 -43.39 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -53.57 -58.3 7.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.01 -27.27 30.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.131 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -77.87 -56.2 4.69 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.47 -43.56 7.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.17 -24.17 5.39 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.764 HG21 HD21 ' A' ' 71' ' ' LEU . 40.2 mt -59.29 136.57 88.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.533 0.206 . . . . 0.0 111.045 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 36' ' ' ILE . 19.8 Cg_endo -60.45 137.72 75.97 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.545 2.163 . . . . 0.0 112.226 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.9 Cg_exo -61.4 -49.32 7.76 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.436 2.091 . . . . 0.0 112.464 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -50.37 -28.63 8.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.12 -26.16 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.828 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -72.27 109.04 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.3 ttp85 -99.74 121.42 41.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 44' ' ' ILE . 4.8 tp -88.32 143.6 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 43' ' ' LEU . 7.1 mm -137.88 124.9 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.601 ' CD2' HD23 ' A' ' 67' ' ' LEU . 17.1 t80 -152.52 139.47 19.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.639 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m 61.71 30.9 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.747 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.79 25.36 67.51 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.317 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -142.1 131.13 23.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.616 ' CD ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -64.76 130.06 42.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.78 ' SD ' HD23 ' A' ' 43' ' ' LEU . 15.9 mtp -72.21 113.24 9.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.01 138.79 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -51.73 -25.43 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.537 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.37 -22.36 57.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.545 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.81 -178.34 5.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 22' ' ' LYS . 26.7 p -149.53 164.29 35.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.72 -48.77 15.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.433 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -42.61 61.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -31.08 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 17.3 m-85 -97.79 24.64 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 37.04 34.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.922 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG23 ' CB ' ' A' ' 65' ' ' SER . 17.2 mt -71.94 145.06 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.966 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 60' ' ' LYS . 4.1 mp -148.37 -178.48 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.98 119.08 12.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.34 -9.31 59.2 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.668 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.556 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.8 m -56.47 130.62 45.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.862 0.363 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.56 100.45 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD23 ' CD2' ' A' ' 45' ' ' TYR . 10.9 mt -95.65 140.14 30.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.752 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.77 164.9 13.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.917 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 6.2 tp -151.15 140.23 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -145.75 132.51 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.764 HD21 HG21 ' A' ' 36' ' ' ILE . 1.5 mm? -78.57 138.44 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.59 99.1 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 71' ' ' LEU . 2.7 pp -159.5 -42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' N ' HD12 ' A' ' 73' ' ' LEU . 42.1 mtt180 -79.17 -29.59 43.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.26 -46.23 1.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.475 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 3' ' ' ILE . 6.0 tt -75.3 152.98 38.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.636 ' N ' HD23 ' A' ' 2' ' ' LEU . 6.4 pt -142.1 -178.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.779 ' HD2' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -141.7 112.51 7.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.613 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.0 p -96.35 122.81 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -81.85 132.83 35.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 157.16 27.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.95 -21.77 32.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.244 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -28.7 30.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.01 -2.82 6.84 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.857 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -177.15 1.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.787 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.45 103.91 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mt -97.25 133.83 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -88.58 132.95 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -143.51 141.5 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -91.02 118.92 30.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.7 pp -144.2 142.02 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -91.42 158.59 40.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.6 Cg_endo -65.87 -23.73 54.61 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.346 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -82.58 -23.56 34.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -64.63 115.24 5.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.2 mmtp -61.09 158.92 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.901 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.7 t -49.8 -44.88 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -33.04 25.25 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.012 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -41.29 64.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 23' ' ' VAL . 11.1 mt -63.05 -48.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.288 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -49.17 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.828 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -57.87 -37.03 73.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -48.08 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 15' ' ' ILE . 21.0 t -60.68 -43.35 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.14 -56.7 15.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.07 -27.35 32.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.327 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.91 -56.41 4.52 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.27 -43.32 7.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.36 -20.48 4.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.51 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.8 mm -59.0 133.61 87.33 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.549 0.214 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.2 140.15 63.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.394 2.063 . . . . 0.0 112.083 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.77 -47.54 5.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.468 2.112 . . . . 0.0 112.557 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -50.56 -31.17 14.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -91.54 -23.0 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -70.75 144.88 50.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -141.08 111.99 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD21 HD13 ' A' ' 67' ' ' LEU . 6.7 tp -88.28 144.71 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mt -138.06 143.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.997 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 67' ' ' LEU . 24.1 t80 -151.91 131.89 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m 60.55 21.32 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.66 -15.01 59.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.752 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -96.11 120.09 35.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.05 127.38 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.1 mtp -71.98 103.12 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -81.8 146.71 29.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -51.23 -25.98 6.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.64 -25.72 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.372 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -177.39 5.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 22' ' ' LYS . 21.4 p -149.2 160.7 43.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.36 -46.37 13.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.467 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.4 63.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.36 -31.02 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -97.58 23.31 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.66 35.16 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.835 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD13 HD21 ' A' ' 67' ' ' LEU . 31.0 mt -70.78 104.79 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.38 170.53 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.48 116.24 8.24 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.64 -6.33 41.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.804 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.418 ' CB ' HG23 ' A' ' 61' ' ' ILE . 24.9 m -57.1 136.91 56.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.358 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.779 HG22 ' HD2' ' A' ' 4' ' ' LYS . 17.0 t -92.47 107.37 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.647 HD13 HD21 ' A' ' 43' ' ' LEU . 13.9 mt -94.97 133.06 39.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -91.52 105.47 17.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.8 tp -86.53 139.23 31.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -145.91 143.98 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 tp -78.7 141.56 37.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.21 78.09 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.64 153.55 27.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 31.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.61 -157.6 24.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.527 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.815 0.341 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.26 153.05 38.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 67' ' ' LEU . 34.8 pt -142.33 -178.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -141.14 115.63 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.813 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.9 t -95.96 114.96 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -81.91 124.75 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.33 149.28 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -57.19 -20.72 28.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.363 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 -32.01 29.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.0 -8.54 5.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.953 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -71.26 -177.36 1.72 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -149.23 109.45 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.5 mt -96.44 121.71 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -88.13 138.39 31.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.813 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.47 -176.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.53 117.98 8.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.08 160.93 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -91.31 157.09 43.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 37.0 Cg_endo -65.6 -24.2 56.07 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.585 2.19 . . . . 0.0 112.371 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -82.79 -23.38 33.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.64 117.56 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 55' ' ' THR . 1.5 mttp -61.02 158.32 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.41 -43.72 23.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.23 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -51.23 -32.43 24.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -44.15 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.8 mt -62.43 -47.88 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.264 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -48.37 74.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.78 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.74 -37.33 73.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -47.43 80.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 HD13 ' A' ' 15' ' ' ILE . 21.4 t -60.87 -42.55 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.31 -56.53 17.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.463 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.21 -27.34 33.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -56.25 4.66 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -95.72 -43.48 7.87 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.19 -23.35 4.92 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.66 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' HD2' ' A' ' 37' ' ' PRO . 50.1 mt -57.8 136.59 83.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.554 0.216 . . . . 0.0 111.05 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 49.4 Cg_endo -69.02 141.95 49.73 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.515 2.143 . . . . 0.0 112.303 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.0 Cg_exo -60.11 -45.14 24.98 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.456 2.104 . . . . 0.0 112.465 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -50.67 -31.9 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.281 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -90.9 -21.43 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -70.18 99.76 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.866 0.365 . . . . 0.0 111.038 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.667 ' HD3' ' HB2' ' A' ' 72' ' ' ALA . 7.0 tpt180 -99.14 106.55 18.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.721 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.71 ' O ' HD13 ' A' ' 44' ' ' ILE . 10.7 tp -88.4 145.26 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.98 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.71 HD13 ' O ' ' A' ' 43' ' ' LEU . 16.8 mm -138.11 143.74 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -152.23 123.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 m 58.58 24.09 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.49 -9.0 72.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.961 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 121.77 38.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.07 126.7 28.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.8 mmm -71.97 105.28 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.61 135.11 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.972 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -51.85 -24.9 6.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.569 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.34 -22.8 57.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.405 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -88.76 -171.99 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 9.7 p -149.48 161.61 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.41 -52.62 9.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.525 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 19' ' ' PRO . . . -51.29 -39.32 56.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -33.24 70.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -97.72 23.94 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.72 34.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.563 HD13 HD21 ' A' ' 67' ' ' LEU . 29.0 mt -70.83 116.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.967 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mp -91.0 162.45 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.1 112.86 4.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.65 -3.21 30.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.811 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -57.12 142.78 41.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 t -93.23 111.12 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD1' HD12 ' A' ' 3' ' ' ILE . 9.0 mt -95.93 134.45 38.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.713 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -91.55 105.49 17.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -86.47 138.17 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.99 147.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -78.63 125.49 29.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . . . -78.83 120.94 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -80.67 68.42 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.845 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 58.01 92.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.35 -67.59 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.3 150.42 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.12 179.34 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -141.79 114.31 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 5' ' ' VAL . 11.2 p -95.92 118.78 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -81.73 127.22 32.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.45 155.6 28.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.39 -21.27 35.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.319 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -82.28 -29.82 30.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.082 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.61 -13.97 5.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.846 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 178.53 3.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -149.35 116.43 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -96.31 140.29 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.4 137.67 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.422 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -143.62 -175.72 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -149.47 122.04 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.813 HD13 HG12 ' A' ' 26' ' ' ILE . 2.3 pt -144.09 156.72 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -91.34 165.18 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.11 -24.9 58.79 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.52 2.147 . . . . 0.0 112.303 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -82.94 -23.33 33.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.54 105.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.519 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mtmm -61.13 162.38 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.9 t -50.13 -43.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.218 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.09 -33.3 25.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -72.94 -41.67 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.325 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.813 HG12 HD13 ' A' ' 17' ' ' ILE . 29.4 mt -63.2 -47.49 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.196 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HE3' HG12 ' A' ' 23' ' ' VAL . 1.3 mttt -55.16 -48.4 73.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.775 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.29 -39.6 76.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.11 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 26' ' ' ILE . 24.0 t -62.81 -46.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.83 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -58.15 8.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -54.26 -27.22 33.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.303 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -78.06 -56.35 4.55 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -95.3 -43.46 8.03 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.79 27.81 2.22 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.703 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 HG23 ' HD2' ' A' ' 37' ' ' PRO . 32.0 mt -111.56 136.11 21.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.507 0.194 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.9 Cg_endo -58.96 144.07 99.35 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.502 2.134 . . . . 0.0 112.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.94 -44.27 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.522 2.148 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.8 -28.52 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -90.68 -25.14 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.2 143.48 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -140.98 123.48 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.777 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.733 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -89.32 147.45 24.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 43' ' ' LEU . 23.6 mm -138.07 139.94 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -152.11 116.11 4.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 27.66 17.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.89 -6.34 79.07 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.02 111.97 23.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.99 120.22 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.587 ' HE3' HD11 ' A' ' 61' ' ' ILE . 19.1 mtp -71.92 116.54 12.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -81.66 144.26 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.89 -30.13 32.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.425 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.73 -12.53 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.789 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -88.88 -178.0 5.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.519 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.0 p -149.33 158.43 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.39 -47.71 13.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.574 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.05 -45.78 61.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -34.98 72.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.797 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.435 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 28.3 m-85 -97.64 22.98 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.47 39.74 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.61 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.7 mt -69.92 99.8 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.47 172.91 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.95 114.67 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.16 -0.61 38.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.766 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.61 ' CB ' HG23 ' A' ' 61' ' ' ILE . 71.3 m -56.72 136.74 55.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.853 0.359 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.55 106.14 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.471 HD21 HD13 ' A' ' 61' ' ' ILE . 15.2 mt -96.15 127.33 42.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.1 110.17 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -86.98 133.97 33.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.688 ' N ' HD13 ' A' ' 69' ' ' LEU . 12.5 p -146.07 145.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.115 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 122.52 26.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 42' ' ' ARG . . . -79.51 133.52 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mt 55.4 -172.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.04 127.44 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.63 -46.32 1.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.493 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -75.54 153.09 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HD12 ' A' ' 15' ' ' ILE . 30.5 pt -142.18 -176.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -140.76 108.99 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' HB ' HD11 ' A' ' 15' ' ' ILE . 14.2 p -96.93 123.79 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.03 125.04 30.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.32 163.36 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 9' ' ' THR . 2.0 pp -55.97 -22.9 29.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.289 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.863 ' N ' HD12 ' A' ' 8' ' ' LEU . 90.1 m -83.3 -34.12 25.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.71 -17.04 5.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.7 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -70.96 127.53 32.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.43 115.62 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 mt -96.07 138.8 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.04 138.96 30.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -143.28 -176.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.54 116.39 5.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 29' ' ' ARG . 2.6 pp -144.27 159.98 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.29 154.01 44.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 36.6 Cg_endo -65.59 -25.6 54.7 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.1 m -82.89 -23.31 33.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -65.06 118.04 8.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' CG ' HG22 ' A' ' 55' ' ' THR . 10.2 mtmm -61.39 164.61 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.29 -42.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.333 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -51.06 -34.5 30.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -41.0 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.355 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -62.97 -48.57 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.244 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -50.06 70.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.661 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.95 -34.51 69.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HD3' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -64.66 -45.51 86.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.688 179.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.09 -44.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.75 -55.72 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.0 -27.32 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.263 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' A' ' 15' ' ' ILE . 1.9 mmtm -77.52 -56.3 4.65 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -95.61 -43.58 7.87 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.7 -26.09 4.35 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.479 HG23 ' HD2' ' A' ' 37' ' ' PRO . 52.4 mt -61.46 137.05 94.61 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.596 0.236 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.1 Cg_endo -63.57 148.27 92.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.449 2.1 . . . . 0.0 112.247 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 -40.13 1.71 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.552 2.168 . . . . 0.0 112.42 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.67 -29.52 11.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -90.64 -24.9 20.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' OE1' HD11 ' A' ' 69' ' ' LEU . 46.9 mt-30 -72.11 153.11 41.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.009 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 117.69 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 4.7 tp -88.93 136.19 33.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 mm -132.39 143.11 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -152.07 131.48 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m 60.37 19.77 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.04 -15.94 58.29 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -95.9 126.51 41.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.889 0.376 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -64.96 123.84 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.466 ' HE3' HD11 ' A' ' 61' ' ' ILE . 88.0 mtp -71.78 113.61 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -81.51 143.08 32.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -52.18 -25.18 8.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.532 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.45 -20.61 58.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.51 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -88.65 -177.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 22' ' ' LYS . 12.2 p -149.42 159.78 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.67 -48.04 14.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.14 61.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.72 -31.64 69.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 57.0 m-85 -98.41 22.52 9.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.94 35.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.814 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG23 ' CB ' ' A' ' 65' ' ' SER . 29.1 mt -70.48 101.6 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.42 171.93 8.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.37 116.08 7.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.12 -4.9 35.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.799 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.564 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.75 140.35 47.83 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.847 0.355 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.07 106.97 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.072 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD21 HD13 ' A' ' 61' ' ' ILE . 59.5 mt -95.44 125.93 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -91.66 99.11 12.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.4 tt -87.07 149.18 24.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.786 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.4 p -146.33 148.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.622 ' HB2' HD23 ' A' ' 8' ' ' LEU . 16.2 tp -78.57 152.83 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -158.58 157.16 31.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.001 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt -80.38 152.69 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.08 -169.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.37 157.26 27.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.575 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.851 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.59 148.92 38.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 67' ' ' LEU . 2.7 pp -141.93 157.35 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.122 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.72 116.55 32.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.867 HG21 HD11 ' A' ' 15' ' ' ILE . 23.4 t -96.48 123.27 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -81.74 123.91 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.587 ' HB ' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -79.43 154.94 28.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 71' ' ' LEU . 4.1 tp -57.74 -19.6 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.455 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.587 HG22 ' HB ' ' A' ' 7' ' ' THR . 13.6 t -82.01 -29.64 31.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.643 0.259 . . . . 0.0 111.059 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.7 -19.14 5.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.767 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' H ' HG23 ' A' ' 9' ' ' THR . 0.4 OUTLIER -70.76 -173.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -149.19 115.42 5.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.436 HD12 ' OE2' ' A' ' 34' ' ' GLU . 24.2 mt -96.29 132.1 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -87.94 139.84 30.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.867 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.25 176.1 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -149.22 118.23 6.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -144.25 179.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.25 153.4 44.55 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.85 -20.78 45.15 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.568 2.179 . . . . 0.0 112.415 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.1 p -82.52 -18.09 42.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.22 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.54 114.37 4.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.372 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' CG ' HG22 ' A' ' 55' ' ' THR . 11.1 mtmt -60.98 162.31 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.85 -43.76 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.359 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.22 -33.97 30.15 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.036 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -40.04 66.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.305 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 30' ' ' VAL . 36.2 mt -62.85 -48.47 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.195 179.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -55.24 -47.95 74.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.753 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.55 -38.44 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -64.18 -42.19 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 26' ' ' ILE . 18.4 t -61.2 -45.62 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.742 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.35 -54.71 40.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -53.67 -27.38 27.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.226 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -56.35 4.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE2' HD12 ' A' ' 13' ' ' ILE . 11.6 mt-10 -95.75 -43.57 7.82 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.56 -25.3 4.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.572 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.7 mt -60.39 136.39 91.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.534 0.207 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.2 Cg_endo -65.82 136.0 43.62 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.465 2.11 . . . . 0.0 112.244 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.2 Cg_exo -59.31 -37.42 90.87 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.478 2.119 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.56 -31.06 14.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -90.95 -23.36 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' OE1' HD11 ' A' ' 69' ' ' LEU . 64.9 mt-30 -71.04 152.67 43.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -140.62 116.46 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -88.41 125.51 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.808 HD12 HG21 ' A' ' 70' ' ' VAL . 24.0 mt -137.99 147.45 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -152.2 130.1 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.67 23.37 13.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -7.69 75.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.929 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -96.3 117.65 31.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -64.98 124.07 21.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.1 mmm -72.12 119.7 16.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.97 133.78 35.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -52.05 -27.91 15.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.435 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -75.85 -19.92 58.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.557 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -88.76 -174.58 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.474 HG22 ' CG ' ' A' ' 22' ' ' LYS . 15.5 p -148.84 158.73 44.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.61 -46.28 14.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.455 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -43.51 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.353 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.12 -29.4 68.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 68.0 m-85 -97.77 21.15 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 36.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.862 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 65' ' ' SER . 31.4 mt -70.37 105.04 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.39 165.89 13.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.0 113.96 4.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.554 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.27 -10.5 19.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.757 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.495 ' CB ' HG23 ' A' ' 61' ' ' ILE . 17.0 m -56.64 137.57 53.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.28 106.18 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.806 HD12 HD13 ' A' ' 3' ' ' ILE . 31.7 mt -95.71 126.87 41.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -91.72 109.24 20.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' OE1' ' A' ' 41' ' ' GLN . 5.8 tt -87.34 102.91 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 44' ' ' ILE . 12.4 t -97.86 161.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 70' ' ' VAL . 5.5 mt -78.09 147.64 34.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.862 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 64.8 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 73' ' ' LEU . 5.6 mp 55.49 -177.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.069 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 65.99 83.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.85 -28.46 13.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.428 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.489 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptp . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.66 HD22 ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -74.48 153.2 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 15' ' ' ILE . 4.2 pt -141.82 -175.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.92 119.15 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' A' ' 15' ' ' ILE . 11.9 p -96.11 119.24 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.23 107.37 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 145.7 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.777 HD21 HG13 ' A' ' 70' ' ' VAL . 1.7 mp -58.11 -19.94 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.38 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -6.42 58.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.498 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.36 66.2 1.39 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -167.97 121.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.89 115.96 27.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.42 145.76 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.99 138.89 31.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.589 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 179.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -149.05 121.32 8.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.442 HG21 HG12 ' A' ' 26' ' ' ILE . 2.8 pp -144.24 154.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.013 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -91.36 147.17 34.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.8 Cg_exo -53.77 -27.47 43.16 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.485 2.123 . . . . 0.0 112.268 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.2 p -82.8 -24.24 33.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.96 112.8 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.796 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' HA ' HG22 ' A' ' 55' ' ' THR . 5.9 mmmt -60.77 160.7 9.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -50.32 -42.69 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -34.4 30.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -72.94 -39.85 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.5 mt -63.38 -48.1 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.18 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -55.07 -49.57 71.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.784 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -57.64 -41.48 81.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -64.61 -43.99 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.717 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.4 t -60.98 -45.0 99.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.09 -54.49 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.48 -27.45 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.56 -56.43 4.53 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -95.76 -43.38 7.91 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.71 33.01 1.34 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.3 mm -114.06 128.79 25.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.555 0.217 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.25 141.16 50.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.326 2.017 . . . . 0.0 112.149 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.28 -49.52 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.482 2.121 . . . . 0.0 112.353 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.67 -29.63 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 30.9 mt-30 -90.97 -24.21 20.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 69' ' ' LEU . 29.5 mt-30 -70.48 112.51 6.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -98.67 107.78 20.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.781 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 43' ' ' LEU . 11.4 tp -88.65 133.47 34.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.1 mt -138.1 149.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.735 ' CD1' HD23 ' A' ' 67' ' ' LEU . 44.0 t80 -152.29 120.76 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 25.86 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.75 -9.13 72.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.811 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -96.36 114.86 26.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.84 121.33 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.595 ' HE3' HD11 ' A' ' 61' ' ' ILE . 29.4 mtp -72.0 110.03 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -81.7 142.94 32.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.51 -25.26 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.34 -22.81 57.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.453 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -88.92 -178.89 5.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 22' ' ' LYS . 14.7 p -149.06 162.91 39.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.57 -50.56 12.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.498 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.45 -43.46 62.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.458 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.61 -32.8 70.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -96.97 21.26 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.25 35.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.903 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 50' ' ' MET . 30.1 mt -71.18 104.64 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.27 166.75 12.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.59 114.14 4.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.08 -9.8 22.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.752 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.494 ' CB ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.21 133.37 52.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.865 0.365 . . . . 0.0 110.992 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.41 96.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD23 ' CD1' ' A' ' 45' ' ' TYR . 5.2 mt -96.29 140.86 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.785 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -91.57 166.47 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.0 tt -151.05 105.11 3.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.903 0.382 . . . . 0.0 111.181 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 8' ' ' LEU . 23.3 t -97.83 140.41 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.014 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' N ' HD11 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -78.92 137.95 37.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . . . -78.99 118.79 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mp -80.49 85.89 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 117.77 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.26 -66.81 0.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.432 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.504 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' CA ' ' A' ' 63' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.4 OUTLIER -75.48 152.72 37.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.009 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.863 HD13 HD12 ' A' ' 67' ' ' LEU . 2.5 pp -142.27 -174.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.66 119.31 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.55 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.62 121.74 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -81.85 125.02 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 156.77 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -57.0 -21.56 31.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -82.51 -33.88 28.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 111.011 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.89 -12.37 4.79 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.846 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -176.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -149.16 119.05 7.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' OE2' ' A' ' 34' ' ' GLU . 21.7 mt -96.45 146.17 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.87 135.2 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -143.65 169.98 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -149.55 117.05 6.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.16 166.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -91.28 155.88 44.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 43.0 Cg_endo -67.68 -20.95 45.99 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.553 2.168 . . . . 0.0 112.426 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 t -82.57 -24.29 34.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.77 115.21 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 55' ' ' THR . 2.9 mttp -61.09 164.02 5.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.883 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.3 t -50.01 -45.03 22.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.329 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -32.53 24.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -72.92 -41.01 64.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.233 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 23' ' ' VAL . 12.4 mt -63.26 -48.32 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.316 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.92 -49.36 71.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.756 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.62 -37.86 74.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -64.77 -46.53 81.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.8 t -60.77 -46.49 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.795 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -55.43 -54.09 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.587 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.61 -27.47 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.354 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' CE ' HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -77.85 -56.4 4.53 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' OE2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -96.54 -43.56 7.55 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.92 -13.19 6.43 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.651 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.25 115.87 38.9 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.618 0.209 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.34 151.42 17.75 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.404 2.069 . . . . 0.0 112.261 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 -49.24 1.42 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.517 2.145 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.8 -28.03 8.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.56 -25.43 20.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.726 ' OE1' HD11 ' A' ' 69' ' ' LEU . 35.5 mt-30 -70.89 158.38 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.945 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.29 102.01 4.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.633 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.676 HD23 ' SD ' ' A' ' 50' ' ' MET . 6.3 tp -88.25 133.77 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.19 145.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.013 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 67' ' ' LEU . 53.9 t80 -152.18 133.32 14.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 45' ' ' TYR . 0.3 OUTLIER 61.2 19.13 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.4 -19.79 45.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.619 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -96.22 130.57 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 110.998 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.92 135.33 55.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.676 ' SD ' HD23 ' A' ' 43' ' ' LEU . 8.1 mtp -71.93 120.28 17.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.85 35.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.17 -36.86 52.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.451 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.96 -8.84 57.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.655 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -89.13 -176.98 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.503 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.7 p -149.83 156.46 41.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.1 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.534 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.13 -43.8 61.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.323 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.14 -32.31 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 31.0 m-85 -98.23 19.19 14.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.49 34.13 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.886 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 67' ' ' LEU . 44.0 mt -71.22 98.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.85 172.66 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 1' ' ' MET . . . -55.29 125.15 35.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.591 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 -10.37 60.49 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.672 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.43 ' CB ' HG23 ' A' ' 61' ' ' ILE . 3.4 m -56.24 135.87 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 t -93.08 98.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 HD13 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -95.7 138.56 33.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -92.06 152.55 19.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD11 ' OE1' ' A' ' 41' ' ' GLN . 8.1 tt -151.16 102.74 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.24 146.59 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 72' ' ' ALA . 8.3 tt -79.59 152.18 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.411 ' N ' HD23 ' A' ' 71' ' ' LEU . . . -159.36 132.49 7.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.37 151.97 29.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -159.92 95.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.59 -124.18 8.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.879 0.371 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 2' ' ' LEU . 4.5 pp -75.4 153.06 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 1.044 HD13 HD12 ' A' ' 67' ' ' LEU . 2.8 pp -140.82 155.54 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.68 117.6 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 15' ' ' ILE . 40.4 t -95.01 121.46 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -81.52 120.88 25.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.26 139.18 36.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 71' ' ' LEU . 12.0 tp -58.82 -15.84 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.592 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 m -79.83 -35.25 38.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.36 63.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 -177.71 3.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 0.0 110.75 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -148.67 105.04 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.15 136.84 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.52 141.45 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.693 HD11 HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.1 143.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.75 111.33 22.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' O ' HD12 ' A' ' 17' ' ' ILE . 2.6 pp -144.04 139.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -91.44 153.33 44.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.44 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 50.4 Cg_exo -53.19 -23.1 21.71 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.441 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 p -82.13 -22.43 36.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.51 112.34 3.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 55' ' ' THR . 11.9 mtmt -60.93 155.02 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.14 -43.55 21.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.352 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -51.2 -33.21 26.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.21 -41.61 63.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.386 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.02 -47.07 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.298 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -54.34 44.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.87 -33.2 68.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -52.15 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG22 ' CD1' ' A' ' 15' ' ' ILE . 33.2 t -60.89 -44.08 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.731 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.44 -56.22 20.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.515 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -53.93 -27.36 30.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.355 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HE2' HG23 ' A' ' 15' ' ' ILE . 17.1 mmtm -78.08 -56.3 4.59 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.83 -43.45 7.85 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.37 -0.51 7.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.845 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 71' ' ' LEU . 23.9 mm -77.41 124.72 86.86 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.717 0.258 . . . . 0.0 111.186 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.76 141.27 65.72 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.43 2.087 . . . . 0.0 112.13 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.02 -50.53 0.78 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.43 2.087 . . . . 0.0 112.354 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.77 -27.68 7.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -90.49 -26.02 19.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 69' ' ' LEU . 36.5 mt-30 -70.44 148.19 48.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.09 111.84 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.729 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 67' ' ' LEU . 14.1 tp -88.73 110.25 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.034 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mm -100.23 144.24 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 50.2 t80 -151.78 124.16 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 22.83 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.15 -10.72 67.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.882 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 120.78 37.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 118.5 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 43' ' ' LEU . 62.2 mtp -71.82 111.43 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.67 144.21 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -25.53 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.528 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.65 -22.08 57.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.546 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -88.81 -175.81 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -149.34 158.46 44.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.34 -45.67 12.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.63 -43.17 62.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.353 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -59.88 -31.38 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.435 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 34.8 m-85 -98.36 22.08 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 36.78 37.04 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.868 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.8 HD13 HD21 ' A' ' 67' ' ' LEU . 27.5 mt -70.36 104.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.32 167.53 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.63 120.93 18.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.66 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.64 -7.72 46.28 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.779 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.552 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.35 137.01 53.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.809 0.338 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.06 105.92 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.044 HD12 HD13 ' A' ' 3' ' ' ILE . 4.2 mt -96.09 130.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -91.94 101.02 13.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 41' ' ' GLN . 6.1 tp -86.52 104.12 15.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 8' ' ' LEU . 12.2 p -97.74 134.59 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.71 139.43 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.82 100.02 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pp -159.47 37.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.95 118.44 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.73 156.07 28.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.593 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmm . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.802 0.334 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.51 151.5 37.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.763 HD11 HD12 ' A' ' 15' ' ' ILE . 18.4 pt -142.28 -177.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -139.93 117.64 11.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.945 ' CG2' HD11 ' A' ' 15' ' ' ILE . 21.6 t -96.61 115.83 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.224 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -81.81 117.75 22.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.5 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.3 tt -57.73 -19.69 29.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.443 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 m -81.48 -29.25 33.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.661 0.267 . . . . 0.0 111.133 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.57 -15.41 7.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.824 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -175.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -147.82 122.85 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mt -95.93 131.29 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.84 134.52 33.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.945 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.08 176.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -145.66 114.96 7.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.97 166.63 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -91.22 158.16 41.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.78 -21.18 51.49 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -82.39 -21.85 35.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -64.61 116.02 5.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 55' ' ' THR . 8.4 mttp -60.97 159.57 11.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 26' ' ' ILE . 20.8 t -49.67 -44.79 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.314 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.18 -31.59 20.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -46.36 45.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' VAL . 13.5 mt -62.88 -44.3 99.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.271 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -55.79 -54.7 41.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.978 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -57.82 -32.08 67.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -45.04 89.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.418 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 26' ' ' ILE . 21.5 t -61.23 -43.17 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -54.69 -55.89 25.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.2 -27.42 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.257 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -77.89 -56.32 4.6 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -95.55 -43.5 7.92 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 -23.85 4.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.643 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.763 ' CG2' HD11 ' A' ' 71' ' ' LEU . 42.0 mt -60.11 136.4 91.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 36' ' ' ILE . 37.4 Cg_endo -65.94 141.85 66.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.483 2.122 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 25.4 Cg_exo -62.77 -45.8 12.7 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.497 2.131 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -50.6 -30.75 14.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.279 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.75 -23.27 20.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.964 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.0 mt-30 -70.75 110.96 5.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -98.9 113.29 25.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.683 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.819 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 mp -88.08 137.88 31.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 43' ' ' LEU . 15.5 mm -138.09 141.43 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -152.31 120.09 6.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m 59.91 23.99 13.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.48 -12.26 65.59 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.724 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -96.32 118.27 32.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.792 0.33 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.88 127.95 33.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.54 ' HE3' HD11 ' A' ' 61' ' ' ILE . 16.0 mtp -72.01 111.74 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.65 133.5 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.75 -25.37 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.546 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.42 -22.91 57.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.392 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -88.79 -171.26 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.907 0.385 . . . . 0.0 110.774 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.517 HG22 ' CG ' ' A' ' 22' ' ' LYS . 14.1 p -149.7 162.89 39.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.551 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.16 -50.81 11.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.514 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.3 -41.27 60.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.317 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.07 -32.29 69.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.765 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -97.77 24.6 6.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.76 38.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.753 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 56' ' ' ALA . 33.9 mt -70.79 112.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.61 166.25 12.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.08 118.79 13.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.67 -0.12 56.61 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.828 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.509 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.2 m -56.64 136.92 54.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.849 0.356 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.0 t -93.6 106.01 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.741 HD12 HD12 ' A' ' 3' ' ' ILE . 7.1 mt -95.62 143.63 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.752 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.0 158.83 16.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' OE1' ' A' ' 41' ' ' GLN . 6.1 tt -151.2 136.76 17.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 8' ' ' LEU . 21.2 t -145.41 139.97 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.763 HD11 ' CG2' ' A' ' 36' ' ' ILE . 3.8 mm? -78.21 132.38 37.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.7 77.57 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.1 mt -80.62 -46.56 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -159.97 143.15 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.06 157.32 25.49 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.538 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 15' ' ' ILE . 5.0 tp -75.32 148.9 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.789 HD11 HD12 ' A' ' 15' ' ' ILE . 2.5 pp -142.52 -176.66 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -139.64 113.23 8.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.53 ' CG1' HD11 ' A' ' 15' ' ' ILE . 14.9 p -96.99 118.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.252 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -82.28 117.92 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.57 142.22 35.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.047 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.678 HD22 HG23 ' A' ' 70' ' ' VAL . 23.9 tp -58.45 -17.95 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.445 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -80.9 -34.46 33.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.795 0.331 . . . . 0.0 111.018 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.53 68.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.57 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.73 134.4 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -91.68 109.54 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' HB ' ' CG1' ' A' ' 5' ' ' VAL . 25.6 mt -96.38 132.92 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.7 140.61 29.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -143.94 176.92 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.93 111.96 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.03 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.617 HD13 ' OD1' ' A' ' 21' ' ' ASP . 2.9 pp -144.73 168.42 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -90.85 138.04 26.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 -22.15 20.79 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.747 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 p -82.64 -15.74 50.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.603 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.617 ' OD1' HD13 ' A' ' 17' ' ' ILE . 1.2 p-10 -64.69 125.33 24.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.889 0.376 . . . . 0.0 111.064 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 55' ' ' THR . 2.3 mttp -61.6 154.25 25.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.743 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 54' ' ' LYS . 21.7 t -49.16 -46.73 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.18 -31.87 21.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.002 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -73.3 -42.12 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.49 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 23' ' ' VAL . 42.2 mt -62.72 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.164 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -55.18 -48.48 73.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.729 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.1 -35.81 71.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -44.83 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 20.2 t -60.57 -43.49 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -55.13 -55.56 29.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.424 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -53.48 -27.4 24.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -78.21 -56.33 4.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' OE2' HD12 ' A' ' 36' ' ' ILE . 12.5 pt-20 -96.48 -43.47 7.61 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.16 -26.55 3.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.622 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.485 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -60.78 137.04 93.24 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.603 0.24 . . . . 0.0 111.081 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 36' ' ' ILE . 23.1 Cg_endo -61.34 147.8 94.6 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.419 2.079 . . . . 0.0 112.196 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.91 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.464 2.109 . . . . 0.0 112.437 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -50.7 -28.46 9.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -90.7 -25.2 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB3' HD11 ' A' ' 69' ' ' LEU . 41.0 mt-30 -70.37 150.61 46.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -140.46 115.88 10.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.645 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD21 HD13 ' A' ' 67' ' ' LEU . 8.8 tp -88.46 113.46 24.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.046 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mm -100.95 134.38 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -152.46 135.68 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 29.88 18.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.13 27.31 72.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.403 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.14 127.36 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 110.794 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -64.55 125.44 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.5 mmm -71.82 120.47 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.46 138.23 35.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -51.79 -25.88 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.485 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.93 -22.05 56.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.601 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 mmtt -88.72 -177.4 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.973 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 22' ' ' LYS . 18.0 p -148.83 158.41 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.656 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.42 -44.92 12.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.434 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.62 -42.06 61.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.252 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.769 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 59.1 m-85 -98.4 22.36 9.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HG3' ' C ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 37.05 37.16 0.07 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.811 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 56' ' ' ALA . 46.4 mt -70.29 103.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mp -91.61 168.27 11.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.33 120.55 18.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.563 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.23 -9.48 42.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.503 ' CB ' HG23 ' A' ' 61' ' ' ILE . 50.2 m -56.21 134.58 53.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.53 97.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 HD21 ' A' ' 43' ' ' LEU . 8.8 mt -95.8 143.16 27.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.738 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -92.5 169.23 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 41' ' ' GLN . 5.6 tp -151.19 140.13 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.678 HG23 HD22 ' A' ' 8' ' ' LEU . 12.1 p -145.51 141.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.228 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 tp -79.27 148.51 32.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.88 103.26 8.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -80.52 152.28 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 63.11 109.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.96 -136.18 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.439 -1.2 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.82 152.24 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 67' ' ' LEU . 2.6 pp -141.29 -174.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.985 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 3' ' ' ILE . 15.1 mtmt -139.0 114.77 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.513 ' CG1' HD11 ' A' ' 15' ' ' ILE . 12.3 p -96.03 123.48 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 111.59 18.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 148.63 31.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.069 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HG13 ' A' ' 70' ' ' VAL . 7.4 tt -57.64 -19.69 28.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.367 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 m -81.24 -30.07 34.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.752 0.311 . . . . 0.0 110.977 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.38 70.01 0.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 129.94 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.54 110.7 21.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -96.38 138.34 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -87.29 131.35 34.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.26 147.43 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -91.04 127.02 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.43 -176.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -148.35 148.71 29.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.753 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 54.1 Cg_exo -52.18 -24.68 21.08 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.573 2.182 . . . . 0.0 112.392 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -82.79 -28.32 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.87 105.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.544 ' CG ' HG22 ' A' ' 55' ' ' THR . 1.7 mttp -60.97 166.47 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.924 ' HA ' HD12 ' A' ' 26' ' ' ILE . 21.5 t -49.66 -47.6 21.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.257 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -32.09 22.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -42.19 63.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.386 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 23' ' ' VAL . 8.7 mt -62.86 -48.27 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.276 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -55.08 -48.36 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.752 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.6 -38.7 75.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.62 -44.17 91.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.735 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 26' ' ' ILE . 34.5 t -60.97 -45.26 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.715 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 1.3 tt0 -54.92 -55.1 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.92 -27.33 30.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.268 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -56.4 4.57 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -95.7 -43.49 7.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.77 -26.28 4.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.586 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 37' ' ' PRO . 42.4 mt -60.26 136.51 91.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.568 0.223 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' A' ' 36' ' ' ILE . 30.8 Cg_endo -63.45 148.26 92.75 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.437 2.091 . . . . 0.0 112.29 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.29 -44.99 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.498 2.132 . . . . 0.0 112.423 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -29.39 11.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -90.79 -24.16 20.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' OE1' HG11 ' A' ' 30' ' ' VAL . 35.1 mt-30 -70.01 162.41 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.674 ' HD3' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -140.97 116.44 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.727 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD23 HG13 ' A' ' 23' ' ' VAL . 17.0 tp -89.02 136.25 33.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 ' HD3' ' A' ' 42' ' ' ARG . 16.0 mm -137.63 144.98 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' HD23 ' A' ' 67' ' ' LEU . 16.8 t80 -152.43 116.23 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.84 26.78 16.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.13 -8.06 75.35 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.783 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 115.51 27.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.832 0.349 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.526 ' HG3' HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -64.91 117.1 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.439 ' CE ' ' CD2' ' A' ' 59' ' ' TYR . 30.0 mtp -72.13 108.27 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -81.77 146.94 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.55 -25.86 7.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.81 -23.14 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.483 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -88.89 177.29 6.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' CG ' ' A' ' 22' ' ' LYS . 36.2 p -149.68 162.29 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 19' ' ' PRO . . . -45.45 -45.49 13.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.444 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.39 -44.86 62.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.62 -35.61 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.751 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 73.9 m-85 -98.05 24.76 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 36.84 34.07 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.979 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.839 HD13 HD21 ' A' ' 67' ' ' LEU . 15.9 mt -71.62 141.73 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.949 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -148.12 -174.08 4.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.49 121.1 21.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.615 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.97 -14.36 55.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.805 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.635 ' CB ' HG23 ' A' ' 61' ' ' ILE . 4.3 m -56.78 122.49 12.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.1 p -92.29 99.73 10.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 61' ' ' ILE . 2.2 mt -95.56 143.82 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' O ' HD12 ' A' ' 43' ' ' LEU . 38.5 m80 -91.82 164.15 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.952 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -151.26 131.7 13.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.868 HG13 HD12 ' A' ' 8' ' ' LEU . 21.9 t -145.27 158.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -78.81 134.36 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.12 144.53 34.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.82 -43.22 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -176.1 5.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.54 61.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.608 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.827 0.346 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 15' ' ' ILE . 4.5 mm? -75.41 141.96 43.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pt -142.21 -179.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -140.35 117.27 11.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.925 ' CG2' HD11 ' A' ' 15' ' ' ILE . 22.0 t -96.31 120.65 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HE2' ' CD2' ' A' ' 68' ' ' HIS . 0.6 OUTLIER -82.35 113.13 19.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 147.59 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 70' ' ' VAL . 14.1 tp -57.75 -19.79 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -81.59 -30.63 32.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.991 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.2 67.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.601 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.25 131.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -90.82 119.92 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.6 mt -96.05 131.18 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -87.12 130.81 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.925 HD11 ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -143.31 179.25 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -145.71 122.32 11.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.526 HG21 HG12 ' A' ' 26' ' ' ILE . 2.7 pp -144.27 153.21 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -91.33 150.21 41.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . 53.3 Cg_exo -52.45 -24.4 21.75 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.62 2.214 . . . . 0.0 112.289 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.5 p -82.7 -25.39 33.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.044 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -64.59 106.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HG2' HG22 ' A' ' 55' ' ' THR . 12.5 mttp -60.92 159.64 11.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -49.95 -40.53 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.363 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.24 -36.89 44.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -72.63 -41.68 65.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.9 mt -63.19 -47.85 90.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -48.98 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.759 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -57.67 -41.59 81.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -42.51 95.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 26' ' ' ILE . 27.5 t -61.12 -45.58 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.23 -54.73 39.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.9 -27.34 29.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.227 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -77.06 -56.33 4.67 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.32 -43.62 7.95 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.1 4.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.579 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.447 HG23 ' HD2' ' A' ' 37' ' ' PRO . 43.5 mt -62.07 136.39 95.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.624 0.249 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 36' ' ' ILE . 35.3 Cg_endo -64.86 150.29 88.35 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.456 2.104 . . . . 0.0 112.237 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.33 -43.7 1.39 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.478 2.119 . . . . 0.0 112.399 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -50.74 -31.15 15.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.88 -22.55 20.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.006 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 69' ' ' LEU . 36.1 mt-30 -69.94 145.84 51.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.13 106.72 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 44' ' ' ILE . 2.9 tp -89.06 149.45 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.826 HD13 ' O ' ' A' ' 43' ' ' LEU . 17.1 mm -138.08 140.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.742 ' CD1' HD23 ' A' ' 67' ' ' LEU . 66.9 t80 -152.26 119.13 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.808 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m 61.57 23.87 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.41 -7.2 77.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.78 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -97.07 118.27 33.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.02 130.01 41.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 43' ' ' LEU . 82.0 mmm -72.02 95.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -82.01 140.83 33.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -51.4 -25.88 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.564 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.75 -23.69 56.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.508 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -89.08 -176.77 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.49 HG22 ' HG2' ' A' ' 22' ' ' LYS . 17.0 p -149.73 158.4 44.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HA ' HD12 ' A' ' 61' ' ' ILE . . . -45.44 -47.05 13.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' HB2' ' CB ' ' A' ' 19' ' ' PRO . . . -51.1 -43.53 61.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.388 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.411 ' C ' ' HG3' ' A' ' 60' ' ' LYS . 90.6 m-85 -97.35 19.27 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 35.95 37.78 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.89 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.591 HG23 ' CB ' ' A' ' 65' ' ' SER . 39.5 mt -70.42 104.94 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -92.68 171.7 8.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.6 101.24 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.17 -9.65 7.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.834 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.591 ' CB ' HG23 ' A' ' 61' ' ' ILE . 1.4 m -56.47 128.56 36.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.016 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.18 98.88 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.742 HD23 ' CD1' ' A' ' 45' ' ' TYR . 4.2 mt -95.69 142.41 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CD2' ' HE2' ' A' ' 6' ' ' LYS . 35.9 m170 -92.04 167.69 11.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 41' ' ' GLN . 7.2 tt -151.22 130.56 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.931 HG13 HD13 ' A' ' 8' ' ' LEU . 18.2 t -145.75 160.83 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.987 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' HG12 ' A' ' 70' ' ' VAL . 5.5 tp -77.84 145.11 36.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.68 172.13 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -80.69 100.2 8.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -80.03 108.82 13.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.88 -56.45 0.64 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.558 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.511 179.887 . . . . . . . . 0 0 . 1 stop_ save_